CID 18445864

Methyl 5-amino-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

COC(=O)C1=CC(=NN1)N

InChI

InChI=1S/C5H7N3O2/c1-10-5(9)3-2-4(6)8-7-3/h2H,1H3,(H3,6,7,8)

InChIKey

WUKSVVOCYHTIMV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 327
Patents: 141.05383 Da
Monoisotopic Mass: 0.1
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]+	142.06111	126.6
[M+Na]+	164.04305	135.2
[M-H]-	140.04655	126.3
[M+NH4]+	159.08765	146.1
[M+K]+	180.01699	133.9
[M+H-H2O]+	124.05109	119.8
[M+HCOO]-	186.05203	149.1
[M+CH3COO]-	200.06768	170.8
[M+Na-2H]-	162.02850	131.4
[M]+	141.05328	124.9
[M]-	141.05438	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe