CID 119630

28024-60-4

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

C1=CN(N=C1)CC(C(=O)O)N

InChI

InChI=1S/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11)

InChIKey

PIGOPELHGLPKLL-UHFFFAOYSA-N

Compound name

2-amino-3-pyrazol-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 323
Patents: 155.06947 Da
Monoisotopic Mass: -3.4
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]+	156.07675	131.4
[M+Na]+	178.05869	138.3
[M-H]-	154.06219	130.7
[M+NH4]+	173.10329	149.9
[M+K]+	194.03263	137.3
[M+H-H2O]+	138.06673	124.2
[M+HCOO]-	200.06767	152.7
[M+CH3COO]-	214.08332	174.2
[M+Na-2H]-	176.04414	135.2
[M]+	155.06892	129.1
[M]-	155.07002	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe