CID 18962468

99419-31-5

Structural Information

Molecular Formula

C₅H₈O₂

SMILES

CC1(COC1)C=O

InChI

InChI=1S/C5H8O2/c1-5(2-6)3-7-4-5/h2H,3-4H2,1H3

InChIKey

DUQGFIKXKISULR-UHFFFAOYSA-N

Compound name

3-methyloxetane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 611
Patents: 100.05243 Da
Monoisotopic Mass: -0.3
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]+	101.05971	115.9
[M+Na]+	123.04165	122.8
[M+NH4]+	118.08625	122.0
[M+K]+	139.01559	118.3
[M-H]-	99.045154	115.5
[M+Na-2H]-	121.02710	120.2
[M]+	100.05188	115.6
[M]-	100.05298	115.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe