CID 7176034

956440-82-7

Structural Information

Molecular Formula

C₈H₁₃N₃O₂

SMILES

CCOC(=O)CN1C(=CC(=N1)C)N

InChI

InChI=1S/C8H13N3O2/c1-3-13-8(12)5-11-7(9)4-6(2)10-11/h4H,3,5,9H2,1-2H3

InChIKey

GTQNYOZGFCLNHM-UHFFFAOYSA-N

Compound name

ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 183.10077 Da
Monoisotopic Mass: 0.7
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	149.5
[M+NH4]+	201.13459	146.1
[M+K]+	222.06393	147.3
[M-H]-	182.09349	139.4
[M+Na-2H]-	204.07544	143.5
[M]+	183.10022	140.7
[M]-	183.10132	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe