CID 69011413

1-(7-chloroquinolin-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C10H9ClN2
SMILES
C1=CC(=CC2=C1C=CC(=N2)CN)Cl
InChI
InChI=1S/C10H9ClN2/c11-8-3-1-7-2-4-9(6-12)13-10(7)5-8/h1-5H,6,12H2
InChIKey
OUSCMBUQYHHWQZ-UHFFFAOYSA-N
Compound name
(7-chloroquinolin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

192.04543 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 137.7
[M+Na]+ 215.03465 148.1
[M-H]- 191.03815 140.7
[M+NH4]+ 210.07925 157.8
[M+K]+ 231.00859 142.7
[M+H-H2O]+ 175.04269 131.8
[M+HCOO]- 237.04363 156.4
[M+CH3COO]- 251.05928 151.2
[M+Na-2H]- 213.02010 146.2
[M]+ 192.04488 138.4
[M]- 192.04598 138.4
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.