CID 50989154

Methyl 2-(1h-pyrazol-3-yl)acetate

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

COC(=O)CC1=CC=NN1

InChI

InChI=1S/C6H8N2O2/c1-10-6(9)4-5-2-3-7-8-5/h2-3H,4H2,1H3,(H,7,8)

InChIKey

PBWIWDDODPODHV-UHFFFAOYSA-N

Compound name

methyl 2-(1H-pyrazol-5-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 140.05858 Da
Monoisotopic Mass: 0.0
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]+	141.06586	128.3
[M+Na]+	163.04780	138.5
[M+NH4]+	158.09240	135.1
[M+K]+	179.02174	136.0
[M-H]-	139.05130	127.1
[M+Na-2H]-	161.03325	132.9
[M]+	140.05803	129.0
[M]-	140.05913	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe