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: 51
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]+	115.075356	116.6
[M+Na]+	137.057298	123.4
[M-H]-	113.060804	121.3
[M+NH4]+	132.101903	133.6
[M+K]+	153.031238	127.5
[M+H-H2O]+	97.065340	108.5
[M+HCOO]-	159.066281	138.7
[M+CH3COO]-	173.081931	171.5
[M+Na-2H]-	135.042746	126.1
[M]+	114.06753142	126.8
[M]-	114.06862858	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe