CID 54595424

7,8-dimethylquinolin-5-amine

Structural Information

Molecular Formula
C11H12N2
SMILES
CC1=CC(=C2C=CC=NC2=C1C)N
InChI
InChI=1S/C11H12N2/c1-7-6-10(12)9-4-3-5-13-11(9)8(7)2/h3-6H,12H2,1-2H3
InChIKey
ZVVPYTVSHKUXNK-UHFFFAOYSA-N
Compound name
7,8-dimethylquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10005 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 136.0
[M+Na]+ 195.089268 146.2
[M-H]- 171.092774 139.6
[M+NH4]+ 190.133873 156.4
[M+K]+ 211.063208 142.4
[M+H-H2O]+ 155.097310 129.6
[M+HCOO]- 217.098251 159.0
[M+CH3COO]- 231.113901 185.0
[M+Na-2H]- 193.074716 143.7
[M]+ 172.09950142 135.4
[M]- 172.10059858 135.4
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.