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

52
Patents

164.09496 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 132.5
[M+Na]+ 187.08418 140.3
[M-H]- 163.08768 133.8
[M+NH4]+ 182.12878 151.9
[M+K]+ 203.05812 136.4
[M+H-H2O]+ 147.09222 126.3
[M+HCOO]- 209.09316 152.1
[M+CH3COO]- 223.10881 177.2
[M+Na-2H]- 185.06963 139.5
[M]+ 164.09441 126.8
[M]- 164.09551 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