CID 137964652

2228570-93-0

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1CC(C1)(CO)C2=CC=NN2

InChI

InChI=1S/C8H12N2O/c11-6-8(3-1-4-8)7-2-5-9-10-7/h2,5,11H,1,3-4,6H2,(H,9,10)

InChIKey

AVHQHTCUNAHUBV-UHFFFAOYSA-N

Compound name

[1-(1H-pyrazol-5-yl)cyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.09496 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]+	153.10224	130.8
[M+Na]+	175.08418	136.6
[M+NH4]+	170.12878	135.9
[M+K]+	191.05812	133.4
[M-H]-	151.08768	128.7
[M+Na-2H]-	173.06963	135.5
[M]+	152.09441	129.7
[M]-	152.09551	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.