CID 683559

23286-70-6

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CCOC(=O)C1=C(NN=C1N)C

InChI

InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4(2)9-10-6(5)8/h3H2,1-2H3,(H3,8,9,10)

InChIKey

WOCMIZZYXHVSPS-UHFFFAOYSA-N

Compound name

ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 152
Patents: 169.08513 Da
Monoisotopic Mass: 1.0
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]+	170.09241	136.0
[M+Na]+	192.07435	145.1
[M+NH4]+	187.11895	141.9
[M+K]+	208.04829	143.5
[M-H]-	168.07785	134.9
[M+Na-2H]-	190.05980	139.1
[M]+	169.08458	136.4
[M]-	169.08568	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe