CID 5492995

1(2h)-phthalazinone, 8-hydroxy-4-methyl-

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=NNC(=O)C2=C1C=CC=C2O
InChI
InChI=1S/C9H8N2O2/c1-5-6-3-2-4-7(12)8(6)9(13)11-10-5/h2-4,12H,1H3,(H,11,13)
InChIKey
ANUQVSBPJJQLSL-UHFFFAOYSA-N
Compound name
8-hydroxy-4-methyl-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 134.3
[M+Na]+ 199.04780 145.4
[M-H]- 175.05130 134.5
[M+NH4]+ 194.09240 152.1
[M+K]+ 215.02174 141.0
[M+H-H2O]+ 159.05584 127.8
[M+HCOO]- 221.05678 153.7
[M+CH3COO]- 235.07243 175.9
[M+Na-2H]- 197.03325 142.7
[M]+ 176.05803 133.7
[M]- 176.05913 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

No patent data available for this compound.