CID 225295

3-(prop-2-en-1-yloxy)propanal

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C=CCOCCC=O

InChI

InChI=1S/C6H10O2/c1-2-5-8-6-3-4-7/h2,4H,1,3,5-6H2

InChIKey

SNWWCBGKESDYKE-UHFFFAOYSA-N

Compound name

3-prop-2-enoxypropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 114.06808 Da
Monoisotopic Mass: 0.2
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	121.3
[M+Na]+	137.05730	129.2
[M-H]-	113.06080	121.7
[M+NH4]+	132.10190	144.2
[M+K]+	153.03124	128.8
[M+H-H2O]+	97.065340	117.1
[M+HCOO]-	159.06628	146.1
[M+CH3COO]-	173.08193	169.4
[M+Na-2H]-	135.04275	128.7
[M]+	114.06753	124.2
[M]-	114.06863	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe