CID 81472

6994-25-8

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

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

InChI

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

InChIKey

YPXGHKWOJXQLQU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 1659
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]+	156.07675	131.6
[M+Na]+	178.05869	140.6
[M+NH4]+	173.10329	137.6
[M+K]+	194.03263	139.0
[M-H]-	154.06219	130.4
[M+Na-2H]-	176.04414	135.2
[M]+	155.06892	132.0
[M]-	155.07002	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe