CID 52929683

Pa(p-18:0/12:0)

Structural Information

Molecular Formula
C33H65O7P
SMILES
CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C33H65O7P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-38-30-32(31-39-41(35,36)37)40-33(34)28-26-24-22-20-12-10-8-6-4-2/h27,29,32H,3-26,28,30-31H2,1-2H3,(H2,35,36,37)/b29-27-/t32-/m1/s1
InChIKey
YBXNNDCGMNUNQE-GFMKPRQQSA-N
Compound name
[(2R)-1-[(Z)-octadec-1-enoxy]-3-phosphonooxypropan-2-yl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.4468 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.45408 251.2
[M+Na]+ 627.43602 252.7
[M-H]- 603.43952 239.5
[M+NH4]+ 622.48062 252.7
[M+K]+ 643.40996 252.8
[M+H-H2O]+ 587.44406 241.4
[M+HCOO]- 649.44500 256.5
[M+CH3COO]- 663.46065 259.9
[M+Na-2H]- 625.42147 231.8
[M]+ 604.44625 248.7
[M]- 604.44735 248.7
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.