CID 50990682

2-[2-(1h-pyrazol-1-yl)ethoxy]ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

C1=CN(N=C1)CCOCCO

InChI

InChI=1S/C7H12N2O2/c10-5-7-11-6-4-9-3-1-2-8-9/h1-3,10H,4-7H2

InChIKey

HAMPMHTUXQNKOS-UHFFFAOYSA-N

Compound name

2-(2-pyrazol-1-ylethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 156.08987 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]+	157.097146	132.0
[M+Na]+	179.079088	139.6
[M-H]-	155.082594	131.3
[M+NH4]+	174.123693	151.3
[M+K]+	195.053028	138.5
[M+H-H2O]+	139.087130	124.9
[M+HCOO]-	201.088071	154.3
[M+CH3COO]-	215.103721	172.2
[M+Na-2H]-	177.064536	138.3
[M]+	156.08932142	133.9
[M]-	156.09041858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe