CID 57508520

Dtxsid90925859

Structural Information

Molecular Formula
C24H51N2O2
SMILES
CCCCCCC(CCCCCCCCCCC(=O)NCCC[N+](C)(C)C)O
InChI
InChI=1S/C24H50N2O2/c1-5-6-7-14-18-23(27)19-15-12-10-8-9-11-13-16-20-24(28)25-21-17-22-26(2,3)4/h23,27H,5-22H2,1-4H3/p+1
InChIKey
HUJWXPPQXVSIRP-UHFFFAOYSA-O
Compound name
3-(12-hydroxyoctadecanoylamino)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.39505 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.40233 210.9
[M+Na]+ 422.38427 241.1
[M-H]- 398.38777 226.3
[M+NH4]+ 417.42887 231.9
[M+K]+ 438.35821 200.3
[M+H-H2O]+ 382.39231 205.8
[M+HCOO]- 444.39325 242.1
[M+CH3COO]- 458.40890 228.1
[M+Na-2H]- 420.36972 210.0
[M]+ 399.39450 229.8
[M]- 399.39560 229.8
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