CID 51072242

2-(4,5-dihydro-1h-pyrazol-1-yl)ethanol

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

C1CN(N=C1)CCO

InChI

InChI=1S/C5H10N2O/c8-5-4-7-3-1-2-6-7/h2,8H,1,3-5H2

InChIKey

BPUUSPXOKMMRFB-UHFFFAOYSA-N

Compound name

2-(3,4-dihydropyrazol-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 114.079315 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]+	115.08659	122.8
[M+Na]+	137.06853	133.0
[M+NH4]+	132.11314	130.6
[M+K]+	153.04247	129.6
[M-H]-	113.07204	122.3
[M+Na-2H]-	135.05398	127.7
[M]+	114.07877	123.8
[M]-	114.07986	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe