CID 52929656

Pa(p-16:0/12:0)

Structural Information

Molecular Formula
C31H61O7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C31H61O7P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-36-28-30(29-37-39(33,34)35)38-31(32)26-24-22-20-18-12-10-8-6-4-2/h25,27,30H,3-24,26,28-29H2,1-2H3,(H2,33,34,35)/b27-25-/t30-/m1/s1
InChIKey
OJGJFNYIEMTDEB-IOTBMVGNSA-N
Compound name
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-phosphonooxypropan-2-yl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.41547 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.42275 244.3
[M+Na]+ 599.40469 246.2
[M-H]- 575.40819 233.4
[M+NH4]+ 594.44929 245.9
[M+K]+ 615.37863 245.4
[M+H-H2O]+ 559.41273 234.7
[M+HCOO]- 621.41367 250.4
[M+CH3COO]- 635.42932 254.3
[M+Na-2H]- 597.39014 225.8
[M]+ 576.41492 241.8
[M]- 576.41602 241.8
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.