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]+ 193.052706 138.0
[M+Na]+ 215.034648 149.3
[M-H]- 191.038154 141.4
[M+NH4]+ 210.079253 158.4
[M+K]+ 231.008588 144.0
[M+H-H2O]+ 175.042690 132.4
[M+HCOO]- 237.043631 156.7
[M+CH3COO]- 251.059281 151.9
[M+Na-2H]- 213.020096 145.7
[M]+ 192.04488142 139.1
[M]- 192.04597858 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.