CID 19576655

2-(4-amino-1h-pyrazol-1-yl)acetic acid

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

C1=C(C=NN1CC(=O)O)N

InChI

InChI=1S/C5H7N3O2/c6-4-1-7-8(2-4)3-5(9)10/h1-2H,3,6H2,(H,9,10)

InChIKey

ARGNGTFXKVEQNL-UHFFFAOYSA-N

Compound name

2-(4-aminopyrazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 141.05383 Da
Monoisotopic Mass: -0.8
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]+	142.06111	126.3
[M+Na]+	164.04305	134.8
[M-H]-	140.04655	126.0
[M+NH4]+	159.08765	145.7
[M+K]+	180.01699	133.5
[M+H-H2O]+	124.05109	119.5
[M+HCOO]-	186.05203	148.8
[M+CH3COO]-	200.06768	171.5
[M+Na-2H]-	162.02850	131.1
[M]+	141.05328	124.7
[M]-	141.05438	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe