CID 109572

Ethanaminium, 2-hydroxy-n,n-dimethyl-n-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-, methyl sulfate (salt)

Structural Information

Molecular Formula
C24H49N2O2
SMILES
CCCCCCCCC=CCCCCCCCC(=O)NCC[N+](C)(C)CCO
InChI
InChI=1S/C24H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(2,3)22-23-27/h11-12,27H,4-10,13-23H2,1-3H3/p+1
InChIKey
UCGJYHKHYQXPHS-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-dimethyl-[2-(octadec-9-enoylamino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.3794 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.38668 207.2
[M+Na]+ 420.36862 213.3
[M+NH4]+ 415.41322 190.8
[M+K]+ 436.34256 206.1
[M-H]- 396.37212 207.0
[M+Na-2H]- 418.35407 206.7
[M]+ 397.37885 207.9
[M]- 397.37995 207.9
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.