CID 52928735

Pa(15:0/17:2(9z,12z))

Structural Information

Molecular Formula
C35H65O8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCC
InChI
InChI=1S/C35H65O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(37)43-33(32-42-44(38,39)40)31-41-34(36)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h9,11,15,17,33H,3-8,10,12-14,16,18-32H2,1-2H3,(H2,38,39,40)/b11-9-,17-15-/t33-/m1/s1
InChIKey
WUMOLKDGHHKXLV-VNSKSOGQSA-N
Compound name
[(2R)-1-pentadecanoyloxy-3-phosphonooxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

644.4417 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.44898 257.1
[M+Na]+ 667.43092 259.5
[M-H]- 643.43442 248.5
[M+NH4]+ 662.47552 261.7
[M+K]+ 683.40486 259.9
[M+H-H2O]+ 627.43896 247.9
[M+HCOO]- 689.43990 260.9
[M+CH3COO]- 703.45555 265.3
[M+Na-2H]- 665.41637 238.1
[M]+ 644.44115 255.0
[M]- 644.44225 255.0
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.