CID 19621865

35000-51-2

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC1=NN(C=C1)CCO

InChI

InChI=1S/C6H10N2O/c1-6-2-3-8(7-6)4-5-9/h2-3,9H,4-5H2,1H3

InChIKey

OAFMLNIISNFEIP-UHFFFAOYSA-N

Compound name

2-(3-methylpyrazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 196
Patents: 126.079315 Da
Monoisotopic Mass: -0.1
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	124.5
[M+Na]+	149.06853	133.6
[M-H]-	125.07204	124.4
[M+NH4]+	144.11314	145.4
[M+K]+	165.04247	132.2
[M+H-H2O]+	109.07658	118.1
[M+HCOO]-	171.07752	146.9
[M+CH3COO]-	185.09317	168.2
[M+Na-2H]-	147.05398	130.6
[M]+	126.07877	124.9
[M]-	126.07986	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe