CID 514102

1,3(2h,4h)-isoquinolinedione, 2-methoxy-

Structural Information

Molecular Formula
C10H9NO3
SMILES
CON1C(=O)CC2=CC=CC=C2C1=O
InChI
InChI=1S/C10H9NO3/c1-14-11-9(12)6-7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3
InChIKey
HHKIUDKKXUHHKJ-UHFFFAOYSA-N
Compound name
2-methoxy-4H-isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

191.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 136.2
[M+Na]+ 214.04746 145.8
[M-H]- 190.05096 139.7
[M+NH4]+ 209.09206 155.8
[M+K]+ 230.02140 143.6
[M+H-H2O]+ 174.05550 129.7
[M+HCOO]- 236.05644 157.2
[M+CH3COO]- 250.07209 183.0
[M+Na-2H]- 212.03291 143.2
[M]+ 191.05769 137.0
[M]- 191.05879 137.0
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

No patent data available for this compound.