CID 190991

39113-01-4

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1CN(C(=O)C2=CC=CC=C21)N
InChI
InChI=1S/C9H10N2O/c10-11-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5-6,10H2
InChIKey
GSQUVIBWTKWASE-UHFFFAOYSA-N
Compound name
2-amino-3,4-dihydroisoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

162.07932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 131.6
[M+Na]+ 185.06854 139.8
[M-H]- 161.07204 134.3
[M+NH4]+ 180.11314 151.7
[M+K]+ 201.04248 136.8
[M+H-H2O]+ 145.07658 125.1
[M+HCOO]- 207.07752 152.7
[M+CH3COO]- 221.09317 179.6
[M+Na-2H]- 183.05399 139.1
[M]+ 162.07877 127.8
[M]- 162.07987 127.8
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