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 139.6
[M+Na]+ 217.05836 148.8
[M-H]- 193.06186 140.5
[M+NH4]+ 212.10296 158.8
[M+K]+ 233.03230 146.4
[M+H-H2O]+ 177.06640 133.4
[M+HCOO]- 239.06734 157.8
[M+CH3COO]- 253.08299 181.1
[M+Na-2H]- 215.04381 142.7
[M]+ 194.06859 138.8
[M]- 194.06969 138.8
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

No patent data available for this compound.