CID 178244158

2,4-dihydroxy-6-methylisoquinolin-3-one

Structural Information

Molecular Formula
C10H9NO3
SMILES
CC1=CC2=C(C(=O)N(C=C2C=C1)O)O
InChI
InChI=1S/C10H9NO3/c1-6-2-3-7-5-11(14)10(13)9(12)8(7)4-6/h2-5,12,14H,1H3
InChIKey
COYAROSKOHOYLG-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-6-methylisoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 136.3
[M+Na]+ 214.047458 147.7
[M-H]- 190.050964 138.2
[M+NH4]+ 209.092063 155.1
[M+K]+ 230.021398 144.0
[M+H-H2O]+ 174.055500 130.6
[M+HCOO]- 236.056441 156.9
[M+CH3COO]- 250.072091 179.5
[M+Na-2H]- 212.032906 143.5
[M]+ 191.05769142 137.4
[M]- 191.05878858 137.4
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.