CID 53484567

3-ethyloxetane-3-carbaldehyde

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CCC1(COC1)C=O

InChI

InChI=1S/C6H10O2/c1-2-6(3-7)4-8-5-6/h3H,2,4-5H2,1H3

InChIKey

WBBLZANXGQZNNM-UHFFFAOYSA-N

Compound name

3-ethyloxetane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 114.06808 Da
Monoisotopic Mass: 0.0
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]+	115.07536	120.3
[M+Na]+	137.05730	127.1
[M+NH4]+	132.10190	126.3
[M+K]+	153.03124	122.3
[M-H]-	113.06080	119.9
[M+Na-2H]-	135.04275	124.4
[M]+	114.06753	120.0
[M]-	114.06863	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe