CID 71748539

(2-chloroquinolin-3-yl)methanamine

Structural Information

Molecular Formula
C10H9ClN2
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)Cl)CN
InChI
InChI=1S/C10H9ClN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h1-5H,6,12H2
InChIKey
USZRQTMFWBJHCM-UHFFFAOYSA-N
Compound name
(2-chloroquinolin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

192.04543 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.052706 137.7
[M+Na]+ 215.034648 148.1
[M-H]- 191.038154 140.7
[M+NH4]+ 210.079253 157.8
[M+K]+ 231.008588 142.7
[M+H-H2O]+ 175.042690 131.8
[M+HCOO]- 237.043631 156.4
[M+CH3COO]- 251.059281 151.2
[M+Na-2H]- 213.020096 146.2
[M]+ 192.04488142 138.4
[M]- 192.04597858 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

literature stripe

Patent stripe

patents stripe