CID 52929662

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

Structural Information

Molecular Formula
C35H69O7P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C35H69O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-40-32-34(33-41-43(37,38)39)42-35(36)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,31,34H,3-28,30,32-33H2,1-2H3,(H2,37,38,39)/b31-29-/t34-/m1/s1
InChIKey
KPHXCNNCZYQGLV-JEHWVFPESA-N
Compound name
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-phosphonooxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.4781 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.48538 258.0
[M+Na]+ 655.46732 259.2
[M-H]- 631.47082 245.6
[M+NH4]+ 650.51192 259.5
[M+K]+ 671.44126 260.1
[M+H-H2O]+ 615.47536 248.0
[M+HCOO]- 677.47630 262.6
[M+CH3COO]- 691.49195 265.5
[M+Na-2H]- 653.45277 237.8
[M]+ 632.47755 255.6
[M]- 632.47865 255.6
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.