CID 52929460

Pa(19:0/18:0)

Structural Information

Molecular Formula
C40H79O8P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H79O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-39(41)46-36-38(37-47-49(43,44)45)48-40(42)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h38H,3-37H2,1-2H3,(H2,43,44,45)/t38-/m1/s1
InChIKey
LTXUZVSZFCIJSW-KXQOOQHDSA-N
Compound name
[(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

718.5513 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 719.55858 278.1
[M+Na]+ 741.54052 278.4
[M-H]- 717.54402 265.9
[M+NH4]+ 736.58512 281.9
[M+K]+ 757.51446 281.8
[M+H-H2O]+ 701.54856 268.2
[M+HCOO]- 763.54950 278.2
[M+CH3COO]- 777.56515 281.3
[M+Na-2H]- 739.52597 256.0
[M]+ 718.55075 276.7
[M]- 718.55185 276.7
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.