CID 52929661

Pa(p-16:0/15:1(9z))

Structural Information

Molecular Formula
C34H65O7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCC
InChI
InChI=1S/C34H65O7P/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/h12,14,28,30,33H,3-11,13,15-27,29,31-32H2,1-2H3,(H2,36,37,38)/b14-12-,30-28-/t33-/m1/s1
InChIKey
DBKOYURIRZUGJI-ICILOJFUSA-N
Compound name
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-phosphonooxypropan-2-yl] (Z)-pentadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

616.4468 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.45408 252.4
[M+Na]+ 639.43602 254.4
[M-H]- 615.43952 241.2
[M+NH4]+ 634.48062 254.3
[M+K]+ 655.40996 254.4
[M+H-H2O]+ 599.44406 242.6
[M+HCOO]- 661.44500 258.2
[M+CH3COO]- 675.46065 261.4
[M+Na-2H]- 637.42147 233.2
[M]+ 616.44625 249.7
[M]- 616.44735 249.7
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.