CID 115063641

7-hydroxy-2-methylisoquinolin-1(2h)-one

Structural Information

Molecular Formula
C10H9NO2
SMILES
CN1C=CC2=C(C1=O)C=C(C=C2)O
InChI
InChI=1S/C10H9NO2/c1-11-5-4-7-2-3-8(12)6-9(7)10(11)13/h2-6,12H,1H3
InChIKey
UBLAVYFGNUBHQN-UHFFFAOYSA-N
Compound name
7-hydroxy-2-methylisoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

175.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 132.6
[M+Na]+ 198.052538 143.7
[M-H]- 174.056044 135.5
[M+NH4]+ 193.097143 152.6
[M+K]+ 214.026478 140.2
[M+H-H2O]+ 158.060580 126.6
[M+HCOO]- 220.061521 154.6
[M+CH3COO]- 234.077171 178.5
[M+Na-2H]- 196.037986 141.1
[M]+ 175.06277142 133.7
[M]- 175.06386858 133.7
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