PubChemLite - Pg(18:1(9z)/0:0) (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]+	511.30306	223.7
[M+Na]+	533.28500	224.2
[M-H]-	509.28850	217.4
[M+NH4]+	528.32960	223.9
[M+K]+	549.25894	221.0
[M+H-H2O]+	493.29304	213.4
[M+HCOO]-	555.29398	226.7
[M+CH3COO]-	569.30963	234.7
[M+Na-2H]-	531.27045	206.5
[M]+	510.29523	219.5
[M]-	510.29633	219.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

511.30306

223.7

[M+Na]+

533.28500

224.2

[M-H]-

509.28850

217.4

[M+NH4]+

528.32960

223.9

[M+K]+

549.25894

221.0

[M+H-H2O]+

493.29304

213.4

[M+HCOO]-

555.29398

226.7

[M+CH3COO]-

569.30963

234.7

[M+Na-2H]-

531.27045

206.5

[M]+

510.29523

219.5

[M]-

510.29633

219.5

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

Pg(18:1(9z)/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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