CID 52928662

Pa(13:0/15:1(9z))

Structural Information

Molecular Formula
C31H59O8P
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCC
InChI
InChI=1S/C31H59O8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-17-14-12-10-8-6-4-2/h11,13,29H,3-10,12,14-28H2,1-2H3,(H2,34,35,36)/b13-11-/t29-/m1/s1
InChIKey
BSMBOTGNSBUMDB-WJAQNRITSA-N
Compound name
[(2R)-1-phosphonooxy-3-tridecanoyloxypropan-2-yl] (Z)-pentadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.3948 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.40208 245.5
[M+Na]+ 613.38402 248.0
[M-H]- 589.38752 237.6
[M+NH4]+ 608.42862 249.8
[M+K]+ 629.35796 247.2
[M+H-H2O]+ 573.39206 236.7
[M+HCOO]- 635.39300 250.0
[M+CH3COO]- 649.40865 255.5
[M+Na-2H]- 611.36947 227.7
[M]+ 590.39425 243.4
[M]- 590.39535 243.4
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.