CID 21441185

4415-74-1

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

C1CC(C1)CCO

InChI

InChI=1S/C6H12O/c7-5-4-6-2-1-3-6/h6-7H,1-5H2

InChIKey

KUARIPXRZDVUJO-UHFFFAOYSA-N

Compound name

2-cyclobutylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 964
Patents: 100.08881 Da
Monoisotopic Mass: 1.6
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]+	101.09609	117.6
[M+Na]+	123.07803	122.9
[M-H]-	99.081534	119.7
[M+NH4]+	118.12263	133.7
[M+K]+	139.05197	125.2
[M+H-H2O]+	83.086070	108.4
[M+HCOO]-	145.08701	138.6
[M+CH3COO]-	159.10266	168.4
[M+Na-2H]-	121.06348	124.2
[M]+	100.08826	124.3
[M]-	100.08936	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe