CID 259665

20000-80-0

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CC1=CC(=NN1CCO)C

InChI

InChI=1S/C7H12N2O/c1-6-5-7(2)9(8-6)3-4-10/h5,10H,3-4H2,1-2H3

InChIKey

ZGJJEKYPEQXOBM-UHFFFAOYSA-N

Compound name

2-(3,5-dimethylpyrazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 124
Patents: 140.09496 Da
Monoisotopic Mass: 0.3
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]+	141.10224	129.3
[M+Na]+	163.08418	140.9
[M+NH4]+	158.12878	137.0
[M+K]+	179.05812	137.3
[M-H]-	139.08768	129.2
[M+Na-2H]-	161.06963	134.2
[M]+	140.09441	130.7
[M]-	140.09551	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe