CID 38231

3(2h)-isoquinolinone, 1,4-dihydro-2-(methylamino)-

Structural Information

Molecular Formula
C10H12N2O
SMILES
CNN1CC2=CC=CC=C2CC1=O
InChI
InChI=1S/C10H12N2O/c1-11-12-7-9-5-3-2-4-8(9)6-10(12)13/h2-5,11H,6-7H2,1H3
InChIKey
LPMXHTSWSHVNSG-UHFFFAOYSA-N
Compound name
2-(methylamino)-1,4-dihydroisoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 135.5
[M+Na]+ 199.08418 143.2
[M-H]- 175.08768 138.6
[M+NH4]+ 194.12878 155.3
[M+K]+ 215.05812 140.4
[M+H-H2O]+ 159.09222 128.8
[M+HCOO]- 221.09316 157.0
[M+CH3COO]- 235.10881 183.3
[M+Na-2H]- 197.06963 143.6
[M]+ 176.09441 133.0
[M]- 176.09551 133.0
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