CID 569031

1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O3
SMILES
CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)O
InChI
InChI=1S/C10H8N2O3/c1-12-7-5-3-2-4-6(7)9(13)8(11-12)10(14)15/h2-5H,1H3,(H,14,15)
InChIKey
MRKGRJJAAGFLFT-UHFFFAOYSA-N
Compound name
1-methyl-4-oxocinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

204.0535 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 140.8
[M+Na]+ 227.04272 155.1
[M+NH4]+ 222.08732 147.8
[M+K]+ 243.01666 149.8
[M-H]- 203.04622 141.2
[M+Na-2H]- 225.02817 146.7
[M]+ 204.05295 142.8
[M]- 204.05405 142.8
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