CID 5313265

Pc(16:0/5:1(4e))

Structural Information

Molecular Formula
C29H57NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC=C
InChI
InChI=1S/C29H56NO8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-28(31)35-25-27(38-29(32)21-9-7-2)26-37-39(33,34)36-24-23-30(3,4)5/h7,27H,2,6,8-26H2,1,3-5H3/p+1/t27-/m1/s1
InChIKey
SOZUKXUDKQAUFE-HHHXNRCGSA-O
Compound name
2-[[(2R)-3-hexadecanoyloxy-2-pent-4-enoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.3822 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.38948 242.8
[M+Na]+ 601.37142 247.1
[M-H]- 577.37492 241.4
[M+NH4]+ 596.41602 251.4
[M+K]+ 617.34536 244.4
[M+H-H2O]+ 561.37946 229.4
[M+HCOO]- 623.38040 253.1
[M+CH3COO]- 637.39605 252.7
[M+Na-2H]- 599.35687 227.1
[M]+ 578.38165 240.8
[M]- 578.38275 240.8
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.