CID 131822419

Pa(a-25:0/i-12:0)

Structural Information

Molecular Formula
C40H79O8P
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C40H79O8P/c1-5-37(4)31-27-23-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24-28-32-39(41)46-34-38(35-47-49(43,44)45)48-40(42)33-29-25-21-20-22-26-30-36(2)3/h36-38H,5-35H2,1-4H3,(H2,43,44,45)/t37?,38-/m1/s1
InChIKey
AFEINTJACVNLIN-YWIOZPJLSA-N
Compound name
[(2R)-2-(10-methylundecanoyloxy)-3-phosphonooxypropyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

718.5513 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 719.55858 276.9
[M+Na]+ 741.54052 278.2
[M-H]- 717.54402 267.7
[M+NH4]+ 736.58512 283.9
[M+K]+ 757.51446 282.7
[M+H-H2O]+ 701.54856 268.2
[M+HCOO]- 763.54950 272.2
[M+CH3COO]- 777.56515 282.5
[M+Na-2H]- 739.52597 256.2
[M]+ 718.55075 276.2
[M]- 718.55185 276.2
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.