CID 3048437

Ethyl-beta-chloroethyl-beta-pyridiniumethylamine chloride hydrochloride

Structural Information

Molecular Formula
C11H18ClN2
SMILES
CCN(CC[N+]1=CC=CC=C1)CCCl
InChI
InChI=1S/C11H18ClN2/c1-2-13(9-6-12)10-11-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-11H2,1H3/q+1
InChIKey
DGZQGRCVGGKLSB-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-2-pyridin-1-ium-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.11584 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12312 148.4
[M+Na]+ 236.10506 154.7
[M-H]- 212.10856 151.3
[M+NH4]+ 231.14966 166.6
[M+K]+ 252.07900 146.3
[M+H-H2O]+ 196.11310 144.2
[M+HCOO]- 258.11404 167.5
[M+CH3COO]- 272.12969 185.7
[M+Na-2H]- 234.09051 156.7
[M]+ 213.11529 150.7
[M]- 213.11639 150.7
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.