CID 52929458

Pa(20:0/12:0)

Structural Information

Molecular Formula
C35H69O8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-21-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1
InChIKey
BLXXAWCYTYMBIZ-MGBGTMOVSA-N
Compound name
[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

648.473 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.480276 261.4
[M+Na]+ 671.462218 262.5
[M-H]- 647.465724 251.1
[M+NH4]+ 666.506823 265.3
[M+K]+ 687.436158 263.9
[M+H-H2O]+ 631.470260 252.1
[M+HCOO]- 693.471201 263.5
[M+CH3COO]- 707.486851 267.8
[M+Na-2H]- 669.447666 241.3
[M]+ 648.47245142 259.7
[M]- 648.47354858 259.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.