CID 53997217

2-ethylquinolin-3-amine

Structural Information

Molecular Formula
C11H12N2
SMILES
CCC1=NC2=CC=CC=C2C=C1N
InChI
InChI=1S/C11H12N2/c1-2-10-9(12)7-8-5-3-4-6-11(8)13-10/h3-7H,2,12H2,1H3
InChIKey
KIZBMBITYOLQQM-UHFFFAOYSA-N
Compound name
2-ethylquinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

172.10005 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 135.8
[M+Na]+ 195.089268 145.0
[M-H]- 171.092774 139.0
[M+NH4]+ 190.133873 155.9
[M+K]+ 211.063208 141.2
[M+H-H2O]+ 155.097310 129.1
[M+HCOO]- 217.098251 158.8
[M+CH3COO]- 231.113901 149.4
[M+Na-2H]- 193.074716 144.3
[M]+ 172.09950142 134.9
[M]- 172.10059858 134.9
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

patents stripe