CID 20483490

54127-64-9

Structural Information

Molecular Formula
C7H9ClN2
SMILES
C1=CC(=NC=C1CCN)Cl
InChI
InChI=1S/C7H9ClN2/c8-7-2-1-6(3-4-9)5-10-7/h1-2,5H,3-4,9H2
InChIKey
DSJPCYWXUGROQW-UHFFFAOYSA-N
Compound name
2-(6-chloropyridin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

156.04543 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 129.7
[M+Na]+ 179.03465 138.8
[M-H]- 155.03815 131.5
[M+NH4]+ 174.07925 149.9
[M+K]+ 195.00859 134.9
[M+H-H2O]+ 139.04269 124.1
[M+HCOO]- 201.04363 149.4
[M+CH3COO]- 215.05928 177.0
[M+Na-2H]- 177.02010 137.1
[M]+ 156.04488 129.9
[M]- 156.04598 129.9
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

patents stripe