CID 58483119

4-(2-methoxyethyl)-1h-pyrazole

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

COCCC1=CNN=C1

InChI

InChI=1S/C6H10N2O/c1-9-3-2-6-4-7-8-5-6/h4-5H,2-3H2,1H3,(H,7,8)

InChIKey

GXMNNSYJOLBLGZ-UHFFFAOYSA-N

Compound name

4-(2-methoxyethyl)-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 126.079315 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]+	127.08659	124.7
[M+Na]+	149.06853	132.9
[M-H]-	125.07204	124.2
[M+NH4]+	144.11314	145.3
[M+K]+	165.04247	131.5
[M+H-H2O]+	109.07658	117.9
[M+HCOO]-	171.07752	147.1
[M+CH3COO]-	185.09317	167.2
[M+Na-2H]-	147.05398	131.5
[M]+	126.07877	124.8
[M]-	126.07986	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe