CID 217642

Brn 1466622

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC(=O)NN1CC2=CC=CC=C2CC1=O
InChI
InChI=1S/C11H12N2O2/c1-8(14)12-13-7-10-5-3-2-4-9(10)6-11(13)15/h2-5H,6-7H2,1H3,(H,12,14)
InChIKey
KZEJQPGHFLYWOJ-UHFFFAOYSA-N
Compound name
N-(3-oxo-1,4-dihydroisoquinolin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 143.6
[M+Na]+ 227.07909 155.3
[M+NH4]+ 222.12369 151.5
[M+K]+ 243.05303 149.3
[M-H]- 203.08259 145.5
[M+Na-2H]- 225.06454 148.9
[M]+ 204.08932 145.5
[M]- 204.09042 145.5
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.