CID 21877756

6-amino-1-methyl-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
CN1C(=O)CCC2=C1C=CC(=C2)N
InChI
InChI=1S/C10H12N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5,11H2,1H3
InChIKey
ULWJTPAOSJSHFG-UHFFFAOYSA-N
Compound name
6-amino-1-methyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

145
Patents

176.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.102236 136.4
[M+Na]+ 199.084178 145.1
[M-H]- 175.087684 139.4
[M+NH4]+ 194.128783 156.3
[M+K]+ 215.058118 141.9
[M+H-H2O]+ 159.092220 129.9
[M+HCOO]- 221.093161 157.2
[M+CH3COO]- 235.108811 183.9
[M+Na-2H]- 197.069626 142.6
[M]+ 176.09441142 133.3
[M]- 176.09550858 133.3
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