CID 6422830

32829-25-7

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

C1=CC=C2C(=C1)C=NN2CC(=O)O

InChI

InChI=1S/C9H8N2O2/c12-9(13)6-11-8-4-2-1-3-7(8)5-10-11/h1-5H,6H2,(H,12,13)

InChIKey

ZNRZBEVYWWQQMN-UHFFFAOYSA-N

Compound name

2-indazol-1-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 176.05858 Da
Monoisotopic Mass: 1.3
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]+	177.065856	133.8
[M+Na]+	199.047798	144.0
[M-H]-	175.051304	135.1
[M+NH4]+	194.092403	153.5
[M+K]+	215.021738	141.1
[M+H-H2O]+	159.055840	127.0
[M+HCOO]-	221.056781	156.0
[M+CH3COO]-	235.072431	176.4
[M+Na-2H]-	197.033246	141.2
[M]+	176.05803142	135.8
[M]-	176.05912858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe