CID 13152844

7-amino-1,2,3,4-tetrahydroisoquinolin-1-one

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1CNC(=O)C2=C1C=CC(=C2)N
InChI
InChI=1S/C9H10N2O/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4,10H2,(H,11,12)
InChIKey
VNUQVKZHEBCTNT-UHFFFAOYSA-N
Compound name
7-amino-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

162.07932 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 132.1
[M+Na]+ 185.068538 139.9
[M-H]- 161.072044 133.5
[M+NH4]+ 180.113143 151.5
[M+K]+ 201.042478 136.0
[M+H-H2O]+ 145.076580 125.9
[M+HCOO]- 207.077521 151.7
[M+CH3COO]- 221.093171 177.1
[M+Na-2H]- 183.053986 139.1
[M]+ 162.07877142 126.4
[M]- 162.07986858 126.4
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

patents stripe