CID 134727547

2-[[(2r)-3-decanoyloxy-2-dodecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Structural Information

Molecular Formula
C30H61NO8P
SMILES
CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C30H60NO8P/c1-6-8-10-12-14-15-17-19-21-23-30(33)39-28(27-38-40(34,35)37-25-24-31(3,4)5)26-36-29(32)22-20-18-16-13-11-9-7-2/h28H,6-27H2,1-5H3/p+1/t28-/m1/s1
InChIKey
DPOHDXPNOVIJBZ-MUUNZHRXSA-O
Compound name
2-[[(2R)-3-decanoyloxy-2-dodecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

594.41345 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.42073 249.0
[M+Na]+ 617.40267 252.5
[M-H]- 593.40617 246.5
[M+NH4]+ 612.44727 257.2
[M+K]+ 633.37661 250.6
[M+H-H2O]+ 577.41071 235.4
[M+HCOO]- 639.41165 258.2
[M+CH3COO]- 653.42730 256.4
[M+Na-2H]- 615.38812 232.3
[M]+ 594.41290 247.1
[M]- 594.41400 247.1
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

patents stripe