CID 52923879

Pc(p-16:0/15:0)

Structural Information

Molecular Formula
C39H79NO7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C39H78NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40(3,4)5)47-39(41)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h31,34,38H,6-30,32-33,35-37H2,1-5H3/p+1/b34-31-/t38-/m1/s1
InChIKey
ZUJMOGQAXDIANT-WBXWDXDJSA-O
Compound name
2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-pentadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

704.5594 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.56668 277.8
[M+Na]+ 727.54862 280.1
[M+NH4]+ 722.59322 251.0
[M+K]+ 743.52256 284.9
[M-H]- 703.55212 271.6
[M+Na-2H]- 725.53407 266.0
[M]+ 704.55885 277.5
[M]- 704.55995 277.5
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.