CID 100923097

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

Structural Information

Molecular Formula
C40H81NO6P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O/C=C\CCCCCCCCCCCCCC
InChI
InChI=1S/C40H80NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-44-38-40(39-47-48(42,43)46-37-34-41(3,4)5)45-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32-33,35-36,40H,6-31,34,37-39H2,1-5H3/p+1/b35-32-,36-33-/t40-/m1/s1
InChIKey
VKQPPRFFLYKMPX-JIRBQVQQSA-O
Compound name
2-[[(2R)-2,3-bis[(Z)-hexadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

702.58014 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.58742 279.8
[M+Na]+ 725.56936 281.8
[M+NH4]+ 720.61396 249.8
[M+K]+ 741.54330 286.4
[M-H]- 701.57286 273.2
[M+Na-2H]- 723.55481 267.6
[M]+ 702.57959 279.2
[M]- 702.58069 279.2
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.