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: 675
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]+	101.059706	111.9
[M+Na]+	123.041648	119.0
[M-H]-	99.045154	116.7
[M+NH4]+	118.086253	129.4
[M+K]+	139.015588	123.5
[M+H-H2O]+	83.049690	104.0
[M+HCOO]-	145.050631	134.3
[M+CH3COO]-	159.066281	168.5
[M+Na-2H]-	121.027096	121.9
[M]+	100.05188142	121.7
[M]-	100.05297858	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe