CID 255799

Cinnolin-4-ol

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC=C2C(=C1)C(=O)C=NN2
InChI
InChI=1S/C8H6N2O/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5H,(H,10,11)
InChIKey
UFMBERDMCRCVSM-UHFFFAOYSA-N
Compound name
1H-cinnolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

667
Patents

146.04802 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 126.3
[M+Na]+ 169.03724 141.5
[M+NH4]+ 164.08184 135.2
[M+K]+ 185.01118 134.5
[M-H]- 145.04074 128.1
[M+Na-2H]- 167.02269 134.7
[M]+ 146.04747 129.0
[M]- 146.04857 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe