CID 433771

4-amino-2,3-dimethyl-1(2h)-isoquinolinone

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=C(C2=CC=CC=C2C(=O)N1C)N
InChI
InChI=1S/C11H12N2O/c1-7-10(12)8-5-3-4-6-9(8)11(14)13(7)2/h3-6H,12H2,1-2H3
InChIKey
JHAQZQMEPUHHSO-UHFFFAOYSA-N
Compound name
4-amino-2,3-dimethylisoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 138.5
[M+Na]+ 211.08418 149.8
[M-H]- 187.08768 142.5
[M+NH4]+ 206.12878 158.5
[M+K]+ 227.05812 146.0
[M+H-H2O]+ 171.09222 132.2
[M+HCOO]- 233.09316 161.9
[M+CH3COO]- 247.10881 187.5
[M+Na-2H]- 209.06963 145.5
[M]+ 188.09441 139.1
[M]- 188.09551 139.1
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

No patent data available for this compound.