CID 52929672

Pa(p-16:0/19:1(9z))

Structural Information

Molecular Formula
C38H73O7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChI
InChI=1S/C38H73O7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-38(39)45-37(36-44-46(40,41)42)35-43-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h19-20,32,34,37H,3-18,21-31,33,35-36H2,1-2H3,(H2,40,41,42)/b20-19-,34-32-/t37-/m1/s1
InChIKey
HQGGWMQSRVIRAU-LCWLJWMXSA-N
Compound name
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-phosphonooxypropan-2-yl] (Z)-nonadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

672.5094 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.51668 265.9
[M+Na]+ 695.49862 267.1
[M-H]- 671.50212 253.1
[M+NH4]+ 690.54322 267.7
[M+K]+ 711.47256 268.9
[M+H-H2O]+ 655.50666 255.6
[M+HCOO]- 717.50760 270.1
[M+CH3COO]- 731.52325 272.4
[M+Na-2H]- 693.48407 245.0
[M]+ 672.50885 263.3
[M]- 672.50995 263.3
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.