CID 15152492

150017-55-3

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

COC(=O)C1=CC=NN1N

InChI

InChI=1S/C5H7N3O2/c1-10-5(9)4-2-3-7-8(4)6/h2-3H,6H2,1H3

InChIKey

HKQBTJJNDYVNMD-UHFFFAOYSA-N

Compound name

methyl 2-aminopyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 141.05383 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]+	142.06111	125.8
[M+Na]+	164.04305	134.9
[M-H]-	140.04655	126.9
[M+NH4]+	159.08765	146.0
[M+K]+	180.01699	134.5
[M+H-H2O]+	124.05109	118.9
[M+HCOO]-	186.05203	149.9
[M+CH3COO]-	200.06768	173.3
[M+Na-2H]-	162.02850	131.1
[M]+	141.05328	126.0
[M]-	141.05438	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe