CID 95318

908330-77-8

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

C1=CC2=C(NN=C2C=C1)CC(C(=O)O)N

InChI

InChI=1S/C10H11N3O2/c11-7(10(14)15)5-9-6-3-1-2-4-8(6)12-13-9/h1-4,7H,5,11H2,(H,12,13)(H,14,15)

InChIKey

IFEKQNAXDMZERW-UHFFFAOYSA-N

Compound name

2-amino-3-(2H-indazol-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 164
Patents: 205.08513 Da
Monoisotopic Mass: -1.7
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]+	206.09241	142.9
[M+Na]+	228.07435	153.1
[M+NH4]+	223.11895	149.3
[M+K]+	244.04829	151.0
[M-H]-	204.07785	142.4
[M+Na-2H]-	226.05980	147.0
[M]+	205.08458	143.8
[M]-	205.08568	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe