CID 53478616

Pc(14:0/p-16:0)

Structural Information

Molecular Formula
C38H77NO7P
SMILES
CCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C38H76NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-37(36-46-47(41,42)45-34-32-39(3,4)5)35-44-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h30,33,37H,6-29,31-32,34-36H2,1-5H3/p+1/b33-30-
InChIKey
JCYQQPUPIWZLSG-MEIHLTSWSA-O
Compound name
2-[[2-[(Z)-hexadec-1-enoxy]-3-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

690.54376 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 691.55104 274.6
[M+Na]+ 713.53298 277.1
[M+NH4]+ 708.57758 247.8
[M+K]+ 729.50692 282.0
[M-H]- 689.53648 268.5
[M+Na-2H]- 711.51843 263.1
[M]+ 690.54321 274.4
[M]- 690.54431 274.4
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.