CID 901798

34605-62-4

Structural Information

Molecular Formula

C₈H₁₃N₃O₂

SMILES

CCOC(=O)C1=C(N(N=C1C)C)N

InChI

InChI=1S/C8H13N3O2/c1-4-13-8(12)6-5(2)10-11(3)7(6)9/h4,9H2,1-3H3

InChIKey

HNAXVECMNRHKAR-UHFFFAOYSA-N

Compound name

ethyl 5-amino-1,3-dimethylpyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 183.10077 Da
Monoisotopic Mass: 1.1
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]+	184.10805	140.0
[M+Na]+	206.08999	149.9
[M+NH4]+	201.13459	146.1
[M+K]+	222.06393	147.9
[M-H]-	182.09349	139.5
[M+Na-2H]-	204.07544	143.2
[M]+	183.10022	140.8
[M]-	183.10132	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe