CID 52929660

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

Structural Information

Molecular Formula
C34H67O7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C34H67O7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-39-31-33(32-40-42(36,37)38)41-34(35)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h28,30,33H,3-27,29,31-32H2,1-2H3,(H2,36,37,38)/b30-28-/t33-/m1/s1
InChIKey
QLFNFPRJLGDKEH-OXNTXANNSA-N
Compound name
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-phosphonooxypropan-2-yl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

618.46246 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.46974 254.6
[M+Na]+ 641.45168 256.0
[M-H]- 617.45518 242.5
[M+NH4]+ 636.49628 256.2
[M+K]+ 657.42562 256.5
[M+H-H2O]+ 601.45972 244.7
[M+HCOO]- 663.46066 259.6
[M+CH3COO]- 677.47631 262.7
[M+Na-2H]- 639.43713 234.8
[M]+ 618.46191 252.1
[M]- 618.46301 252.1
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.