CID 6483899

3-(4,5,6,7-tetrahydro-2h-indazol-3-yl)propanoic acid

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1CCC2=C(C1)C(=NN2)CCC(=O)O

InChI

InChI=1S/C10H14N2O2/c13-10(14)6-5-9-7-3-1-2-4-8(7)11-12-9/h1-6H2,(H,11,12)(H,13,14)

InChIKey

FXWSNXDIXJGVBI-UHFFFAOYSA-N

Compound name

3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 194.10553 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]+	195.11281	143.6
[M+Na]+	217.09475	149.8
[M-H]-	193.09825	142.1
[M+NH4]+	212.13935	161.5
[M+K]+	233.06869	146.4
[M+H-H2O]+	177.10279	136.8
[M+HCOO]-	239.10373	159.5
[M+CH3COO]-	253.11938	177.9
[M+Na-2H]-	215.08020	146.9
[M]+	194.10498	139.7
[M]-	194.10608	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe