CID 9546687

2-heptanoyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C15H33NO7P
SMILES
CCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C15H32NO7P/c1-5-6-7-8-9-15(18)23-14(12-17)13-22-24(19,20)21-11-10-16(2,3)4/h14,17H,5-13H2,1-4H3/p+1/t14-/m1/s1
InChIKey
XHIJUZNRGPLVKF-CQSZACIVSA-O
Compound name
2-[[(2R)-2-heptanoyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

370.19946 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20674 192.9
[M+Na]+ 393.18868 197.8
[M-H]- 369.19218 192.7
[M+NH4]+ 388.23328 196.8
[M+K]+ 409.16262 189.7
[M+H-H2O]+ 353.19672 179.3
[M+HCOO]- 415.19766 208.3
[M+CH3COO]- 429.21331 209.9
[M+Na-2H]- 391.17413 181.7
[M]+ 370.19891 190.3
[M]- 370.20001 190.3
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

patents stripe