1-(9z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (C24H47O9P)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O

InChI

InChI=1S/C24H47O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h9-10,22-23,25-27H,2-8,11-21H2,1H3,(H,29,30)/b10-9-/t22-,23+/m0/s1

InChIKey

FQQQKGAFQIIGLQ-SNZQZGEVSA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (Z)-octadec-9-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	511.303056	223.7
[M+Na]+	533.284998	224.2
[M-H]-	509.288504	217.4
[M+NH4]+	528.329603	223.9
[M+K]+	549.258938	221.0
[M+H-H2O]+	493.293040	213.4
[M+HCOO]-	555.293981	226.7
[M+CH3COO]-	569.309631	234.7
[M+Na-2H]-	531.270446	206.5
[M]+	510.29523142	219.5
[M]-	510.29632858	219.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

511.303056

223.7

[M+Na]+

533.284998

224.2

[M-H]-

509.288504

217.4

[M+NH4]+

528.329603

223.9

[M+K]+

549.258938

221.0

[M+H-H2O]+

493.293040

213.4

[M+HCOO]-

555.293981

226.7

[M+CH3COO]-

569.309631

234.7

[M+Na-2H]-

531.270446

206.5

[M]+

510.29523142

219.5

[M]-

510.29632858

219.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-(9z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe