CID 257352

3-methyl-4-cinnolinol

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=NNC2=CC=CC=C2C1=O
InChI
InChI=1S/C9H8N2O/c1-6-9(12)7-4-2-3-5-8(7)11-10-6/h2-5H,1H3,(H,11,12)
InChIKey
YVRPDIPJOFBYAL-UHFFFAOYSA-N
Compound name
3-methyl-1H-cinnolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

28
Patents

160.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.3
[M+Na]+ 183.05288 141.0
[M-H]- 159.05638 131.5
[M+NH4]+ 178.09748 149.3
[M+K]+ 199.02682 136.9
[M+H-H2O]+ 143.06092 123.5
[M+HCOO]- 205.06186 151.1
[M+CH3COO]- 219.07751 144.0
[M+Na-2H]- 181.03833 140.0
[M]+ 160.06311 129.7
[M]- 160.06421 129.7
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.