CID 52929772

1-(1z-hexadecenyl)-glycero-3-phosphate

Structural Information

Molecular Formula
C19H39O6P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C19H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h15-16,19-20H,2-14,17-18H2,1H3,(H2,21,22,23)/b16-15-/t19-/m1/s1
InChIKey
LBGSRVIXIVDRQM-OAXWQBPPSA-N
Compound name
[(2R)-3-[(Z)-hexadec-1-enoxy]-2-hydroxypropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

394.2484 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.25568 199.1
[M+Na]+ 417.23762 201.6
[M-H]- 393.24112 189.5
[M+NH4]+ 412.28222 196.2
[M+K]+ 433.21156 203.2
[M+H-H2O]+ 377.24566 197.3
[M+HCOO]- 439.24660 209.9
[M+CH3COO]- 453.26225 216.2
[M+Na-2H]- 415.22307 201.8
[M]+ 394.24785 195.6
[M]- 394.24895 195.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe