CID 52928639

Pa(12:0/15:1(9z))

Structural Information

Molecular Formula
C30H57O8P
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCC
InChI
InChI=1S/C30H57O8P/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-30(32)38-28(27-37-39(33,34)35)26-36-29(31)24-22-20-18-16-12-10-8-6-4-2/h11,13,28H,3-10,12,14-27H2,1-2H3,(H2,33,34,35)/b13-11-/t28-/m1/s1
InChIKey
HPCNOZLMAOCFKZ-ACWSPVJKSA-N
Compound name
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (Z)-pentadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.3791 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.38638 242.0
[M+Na]+ 599.36832 244.7
[M-H]- 575.37182 234.5
[M+NH4]+ 594.41292 246.3
[M+K]+ 615.34226 243.5
[M+H-H2O]+ 559.37636 233.3
[M+HCOO]- 621.37730 247.0
[M+CH3COO]- 635.39295 252.7
[M+Na-2H]- 597.35377 224.6
[M]+ 576.37855 239.9
[M]- 576.37965 239.9
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.