CID 51072211

1215295-93-4

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CN1C2=C(CC(=O)CC2)C(=N1)C(=O)O
InChI
InChI=1S/C9H10N2O3/c1-11-7-3-2-5(12)4-6(7)8(10-11)9(13)14/h2-4H2,1H3,(H,13,14)
InChIKey
BMCJAUHTKKJQCP-UHFFFAOYSA-N
Compound name
1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 140.8
[M+Na]+ 217.05836 151.3
[M+NH4]+ 212.10296 147.5
[M+K]+ 233.03230 149.0
[M-H]- 193.06186 139.8
[M+Na-2H]- 215.04381 143.1
[M]+ 194.06859 141.6
[M]- 194.06969 141.6
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.