CID 3312489

6,7-dimethoxy-1,2-dihydroisoquinolin-1-one

Structural Information

Molecular Formula
C11H11NO3
SMILES
COC1=C(C=C2C(=C1)C=CNC2=O)OC
InChI
InChI=1S/C11H11NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h3-6H,1-2H3,(H,12,13)
InChIKey
RSCNYUAUZAUCBZ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

205.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 140.4
[M+Na]+ 228.06312 150.9
[M-H]- 204.06662 143.1
[M+NH4]+ 223.10772 159.1
[M+K]+ 244.03706 147.8
[M+H-H2O]+ 188.07116 133.9
[M+HCOO]- 250.07210 162.2
[M+CH3COO]- 264.08775 183.7
[M+Na-2H]- 226.04857 148.3
[M]+ 205.07335 143.3
[M]- 205.07445 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe