CID 125424780

4-chloro-3-methylquinolin-5-amine

Structural Information

Molecular Formula
C10H9ClN2
SMILES
CC1=C(C2=C(C=CC=C2N=C1)N)Cl
InChI
InChI=1S/C10H9ClN2/c1-6-5-13-8-4-2-3-7(12)9(8)10(6)11/h2-5H,12H2,1H3
InChIKey
YXVYITBJMNBBRX-UHFFFAOYSA-N
Compound name
4-chloro-3-methylquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04543 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 138.0
[M+Na]+ 215.03465 149.3
[M-H]- 191.03815 141.4
[M+NH4]+ 210.07925 158.4
[M+K]+ 231.00859 144.0
[M+H-H2O]+ 175.04269 132.4
[M+HCOO]- 237.04363 156.7
[M+CH3COO]- 251.05928 151.9
[M+Na-2H]- 213.02010 145.7
[M]+ 192.04488 139.1
[M]- 192.04598 139.1
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.