CID 56834

(3-cyanopropyl)(2-hydroxyethyl)dimethylammonium bromide acetate

Structural Information

Molecular Formula
C10H19N2O2
SMILES
CC(=O)OCC[N+](C)(C)CCCC#N
InChI
InChI=1S/C10H19N2O2/c1-10(13)14-9-8-12(2,3)7-5-4-6-11/h4-5,7-9H2,1-3H3/q+1
InChIKey
WRSVINGFLPLTQI-UHFFFAOYSA-N
Compound name
2-acetyloxyethyl-(3-cyanopropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.14465 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.15193 145.2
[M+Na]+ 222.13387 152.7
[M-H]- 198.13737 147.2
[M+NH4]+ 217.17847 163.1
[M+K]+ 238.10781 148.2
[M+H-H2O]+ 182.14191 136.1
[M+HCOO]- 244.14285 164.6
[M+CH3COO]- 258.15850 196.6
[M+Na-2H]- 220.11932 152.3
[M]+ 199.14410 143.0
[M]- 199.14520 143.0
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.