CID 212846

25142-44-3

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CC(C)(CC1=CC=NN1)O

InChI

InChI=1S/C7H12N2O/c1-7(2,10)5-6-3-4-8-9-6/h3-4,10H,5H2,1-2H3,(H,8,9)

InChIKey

HGTWOJBWQKHGKE-UHFFFAOYSA-N

Compound name

2-methyl-1-(1H-pyrazol-5-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 140.09496 Da
Monoisotopic Mass: 0.4
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	131.1
[M+Na]+	163.08418	138.8
[M-H]-	139.08768	129.4
[M+NH4]+	158.12878	150.5
[M+K]+	179.05812	136.7
[M+H-H2O]+	123.09222	125.2
[M+HCOO]-	185.09316	150.0
[M+CH3COO]-	199.10881	167.8
[M+Na-2H]-	161.06963	137.5
[M]+	140.09441	129.1
[M]-	140.09551	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe