CID 15144836

3-amino-1,2,5,6,7,8-hexahydroquinolin-2-one

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1CCC2=C(C1)C=C(C(=O)N2)N
InChI
InChI=1S/C9H12N2O/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h5H,1-4,10H2,(H,11,12)
InChIKey
FBEDPNPNAGUDGK-UHFFFAOYSA-N
Compound name
3-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

164.09496 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 132.5
[M+Na]+ 187.084178 140.3
[M-H]- 163.087684 133.8
[M+NH4]+ 182.128783 151.9
[M+K]+ 203.058118 136.4
[M+H-H2O]+ 147.092220 126.3
[M+HCOO]- 209.093161 152.1
[M+CH3COO]- 223.108811 177.2
[M+Na-2H]- 185.069626 139.5
[M]+ 164.09441142 126.8
[M]- 164.09550858 126.8
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