CID 55266359

3-(6-chloropyridin-3-yl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H11ClN2
SMILES
C1=CC(=NC=C1CCCN)Cl
InChI
InChI=1S/C8H11ClN2/c9-8-4-3-7(6-11-8)2-1-5-10/h3-4,6H,1-2,5,10H2
InChIKey
WJFUHAOXOUEQHL-UHFFFAOYSA-N
Compound name
3-(6-chloro-3-pyridinyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

170.06108 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.068356 134.3
[M+Na]+ 193.050298 143.0
[M-H]- 169.053804 136.0
[M+NH4]+ 188.094903 154.0
[M+K]+ 209.024238 138.8
[M+H-H2O]+ 153.058340 128.5
[M+HCOO]- 215.059281 153.7
[M+CH3COO]- 229.074931 180.0
[M+Na-2H]- 191.035746 141.2
[M]+ 170.06053142 134.9
[M]- 170.06162858 134.9
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.