CID 16221512

(5-amino-2h-pyrazol-3-yl)-acetic acid

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

C1=C(NN=C1N)CC(=O)O

InChI

InChI=1S/C5H7N3O2/c6-4-1-3(7-8-4)2-5(9)10/h1H,2H2,(H,9,10)(H3,6,7,8)

InChIKey

WROZCSTUPGWSLS-UHFFFAOYSA-N

Compound name

2-(3-amino-1H-pyrazol-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 141.05383 Da
Monoisotopic Mass: -0.6
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]+	142.061106	127.0
[M+Na]+	164.043048	135.1
[M-H]-	140.046554	125.4
[M+NH4]+	159.087653	145.7
[M+K]+	180.016988	132.9
[M+H-H2O]+	124.051090	120.5
[M+HCOO]-	186.052031	148.0
[M+CH3COO]-	200.067681	169.0
[M+Na-2H]-	162.028496	131.3
[M]+	141.05328142	123.5
[M]-	141.05437858	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe