CID 76218

Cyclobutanol

Structural Information

Molecular Formula

SMILES

C1CC(C1)O

InChI

InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2

InChIKey

KTHXBEHDVMTNOH-UHFFFAOYSA-N

Compound name

cyclobutanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 38
References: 17556
Patents: 72.05752 Da
Monoisotopic Mass: 0.5
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]+	73.064796	109.5
[M+Na]+	95.046738	116.1
[M+NH4]+	90.091343	115.0
[M+K]+	111.02068	112.9
[M-H]-	71.050244	108.1
[M+Na-2H]-	93.032186	113.0
[M]+	72.056971	108.7
[M]-	72.058069	108.7

Literature stripe

literature stripe

Patent stripe

patents stripe