CID 4912934

55904-61-5

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

CCOC(=O)C1=C(C=NN1)N

InChI

InChI=1S/C6H9N3O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2,7H2,1H3,(H,8,9)

InChIKey

JLIFAQGFWIYWDA-UHFFFAOYSA-N

Compound name

ethyl 4-amino-1H-pyrazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 155.06947 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]+	156.076746	131.1
[M+Na]+	178.058688	139.3
[M-H]-	154.062194	130.7
[M+NH4]+	173.103293	150.1
[M+K]+	194.032628	137.8
[M+H-H2O]+	138.066730	124.2
[M+HCOO]-	200.067671	153.4
[M+CH3COO]-	214.083321	173.8
[M+Na-2H]-	176.044136	135.4
[M]+	155.06892142	129.8
[M]-	155.07001858	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe