CID 121553483

3-(oxetan-2-yl)propanal

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1COC1CCC=O

InChI

InChI=1S/C6H10O2/c7-4-1-2-6-3-5-8-6/h4,6H,1-3,5H2

InChIKey

KLPVAYCBDQORRW-UHFFFAOYSA-N

Compound name

3-(oxetan-2-yl)propanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 114.06808 Da
Monoisotopic Mass: 0.1
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	115.7
[M+Na]+	137.057298	121.6
[M-H]-	113.060804	119.9
[M+NH4]+	132.101903	130.7
[M+K]+	153.031238	125.7
[M+H-H2O]+	97.065340	106.2
[M+HCOO]-	159.066281	137.7
[M+CH3COO]-	173.081931	171.9
[M+Na-2H]-	135.042746	124.1
[M]+	114.06753142	125.6
[M]-	114.06862858	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe