CID 73357524

1338247-49-6

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CC1=C2CC(CCC2=NN1)C(=O)O

InChI

InChI=1S/C9H12N2O2/c1-5-7-4-6(9(12)13)2-3-8(7)11-10-5/h6H,2-4H2,1H3,(H,10,11)(H,12,13)

InChIKey

GAEXPQISYGPHGQ-UHFFFAOYSA-N

Compound name

3-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 180.08987 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.09715	139.0
[M+Na]+	203.07909	148.9
[M+NH4]+	198.12369	146.1
[M+K]+	219.05303	146.3
[M-H]-	179.08259	138.1
[M+Na-2H]-	201.06454	141.5
[M]+	180.08932	139.7
[M]-	180.09042	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe