CID 22386168

2-cyclobutylacetaldehyde

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C1CC(C1)CC=O

InChI

InChI=1S/C6H10O/c7-5-4-6-2-1-3-6/h5-6H,1-4H2

InChIKey

GBTLVTGTSKWGCQ-UHFFFAOYSA-N

Compound name

2-cyclobutylacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 294
Patents: 98.073166 Da
Monoisotopic Mass: 1.3
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	117.3
[M+Na]+	121.06238	124.0
[M+NH4]+	116.10699	122.5
[M+K]+	137.03632	120.0
[M-H]-	97.065890	116.1
[M+Na-2H]-	119.04783	120.7
[M]+	98.072617	116.6
[M]-	98.073715	116.6

Literature stripe

literature stripe

Patent stripe

patents stripe