CID 316286

3-ethoxy-5-methyl-1h-pyrazole

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CCOC1=NNC(=C1)C

InChI

InChI=1S/C6H10N2O/c1-3-9-6-4-5(2)7-8-6/h4H,3H2,1-2H3,(H,7,8)

InChIKey

HXEKEMXHIRHCED-UHFFFAOYSA-N

Compound name

3-ethoxy-5-methyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 127
Patents: 126.079315 Da
Monoisotopic Mass: 1.3
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	125.1
[M+Na]+	149.06853	136.5
[M+NH4]+	144.11314	132.8
[M+K]+	165.04247	132.9
[M-H]-	125.07204	124.9
[M+Na-2H]-	147.05398	130.4
[M]+	126.07877	126.4
[M]-	126.07986	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe