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 279.9
[M+Na]+ 725.56936 281.4
[M-H]- 701.57286 269.2
[M+NH4]+ 720.61396 283.1
[M+K]+ 741.54330 282.9
[M+H-H2O]+ 685.57740 263.6
[M+HCOO]- 747.57834 290.1
[M+CH3COO]- 761.59399 279.8
[M+Na-2H]- 723.55481 258.3
[M]+ 702.57959 276.7
[M]- 702.58069 276.7
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.