PubChemLite - 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (C22H45O9P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O

InChI

InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)/t20-,21+/m0/s1

InChIKey

BVJSKAUUFXBDOB-LEWJYISDSA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] hexadecanoate

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]+	485.28740	219.6
[M+Na]+	507.26934	220.9
[M+NH4]+	502.31394	223.2
[M+K]+	523.24328	218.8
[M-H]-	483.27284	212.8
[M+Na-2H]-	505.25479	223.2
[M]+	484.27957	217.8
[M]-	484.28067	217.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.28740

219.6

[M+Na]+

507.26934

220.9

[M+NH4]+

502.31394

223.2

[M+K]+

523.24328

218.8

[M-H]-

483.27284

212.8

[M+Na-2H]-

505.25479

223.2

[M]+

484.27957

217.8

[M]-

484.28067

217.8

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

1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe