CID 46899393

Schembl3588372

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1=CC=C2C(=C1)C(NN2)C(=O)O

InChI

InChI=1S/C8H8N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4,7,9-10H,(H,11,12)

InChIKey

KSMPFPOOOWLZRA-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-indazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 164.05858 Da
Monoisotopic Mass: -1.2
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]+	165.065856	133.2
[M+Na]+	187.047798	141.0
[M-H]-	163.051304	131.1
[M+NH4]+	182.092403	151.8
[M+K]+	203.021738	137.0
[M+H-H2O]+	147.055840	127.1
[M+HCOO]-	209.056781	149.8
[M+CH3COO]-	223.072431	169.0
[M+Na-2H]-	185.033246	138.2
[M]+	164.05803142	128.3
[M]-	164.05912858	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe