CID 3048439

Methyl-beta-chloroethyl-beta-pyridiniumethylamine chloride hydrochloride

Structural Information

Molecular Formula
C10H16ClN2
SMILES
CN(CC[N+]1=CC=CC=C1)CCCl
InChI
InChI=1S/C10H16ClN2/c1-12(8-5-11)9-10-13-6-3-2-4-7-13/h2-4,6-7H,5,8-10H2,1H3/q+1
InChIKey
NJFARDSXQYMBKB-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-methyl-2-pyridin-1-ium-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.1002 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10748 143.6
[M+Na]+ 222.08942 150.4
[M-H]- 198.09292 146.7
[M+NH4]+ 217.13402 162.4
[M+K]+ 238.06336 142.2
[M+H-H2O]+ 182.09746 139.7
[M+HCOO]- 244.09840 163.1
[M+CH3COO]- 258.11405 182.7
[M+Na-2H]- 220.07487 152.5
[M]+ 199.09965 145.5
[M]- 199.10075 145.5
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.