CID 5213554

N-(2-hydroxyethyl)-n,n-dimethyl-1-tetradecanaminium chloride

Structural Information

Molecular Formula
C18H40NO
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CCO
InChI
InChI=1S/C18H40NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2,3)17-18-20/h20H,4-18H2,1-3H3/q+1
InChIKey
WYWPHTQMLPHMKP-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-dimethyl-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

286.311 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.31828 178.9
[M+Na]+ 309.30022 180.8
[M-H]- 285.30372 177.5
[M+NH4]+ 304.34482 194.9
[M+K]+ 325.27416 172.6
[M+H-H2O]+ 269.30826 175.5
[M+HCOO]- 331.30920 198.1
[M+CH3COO]- 345.32485 204.2
[M+Na-2H]- 307.28567 183.0
[M]+ 286.31045 183.3
[M]- 286.31155 183.3
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