CID 17028076

176661-75-9

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CN1C=C(C=N1)CCO

InChI

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

InChIKey

ZQEOCSYOGWFPTB-UHFFFAOYSA-N

Compound name

2-(1-methylpyrazol-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 126.079315 Da
Monoisotopic Mass: -0.2
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