CID 15401759

2-cyclobutylideneethan-1-ol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C1CC(=CCO)C1

InChI

InChI=1S/C6H10O/c7-5-4-6-2-1-3-6/h4,7H,1-3,5H2

InChIKey

YVSRXFSCVATFPH-UHFFFAOYSA-N

Compound name

2-cyclobutylideneethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 98.073166 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]+	99.080442	116.6
[M+Na]+	121.06238	122.3
[M-H]-	97.065890	118.8
[M+NH4]+	116.10699	132.8
[M+K]+	137.03632	124.0
[M+H-H2O]+	81.070426	107.5
[M+HCOO]-	143.07137	137.8
[M+CH3COO]-	157.08702	166.8
[M+Na-2H]-	119.04783	123.2
[M]+	98.072617	122.5
[M]-	98.073715	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe