CID 5314015

1-hexanoyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C14H31NO7P
SMILES
CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C14H30NO7P/c1-5-6-7-8-14(17)20-11-13(16)12-22-23(18,19)21-10-9-15(2,3)4/h13,16H,5-12H2,1-4H3/p+1/t13-/m1/s1
InChIKey
WDNDPXJAUNUOFK-CYBMUJFWSA-O
Compound name
2-[[(2R)-3-hexanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

356.1838 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19108 189.0
[M+Na]+ 379.17302 194.2
[M-H]- 355.17652 189.3
[M+NH4]+ 374.21762 193.0
[M+K]+ 395.14696 185.7
[M+H-H2O]+ 339.18106 175.7
[M+HCOO]- 401.18200 204.9
[M+CH3COO]- 415.19765 207.0
[M+Na-2H]- 377.15847 178.4
[M]+ 356.18325 186.6
[M]- 356.18435 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.