CID 21702858

5-methyloxolane-3-carbaldehyde

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC1CC(CO1)C=O

InChI

InChI=1S/C6H10O2/c1-5-2-6(3-7)4-8-5/h3,5-6H,2,4H2,1H3

InChIKey

AOLORHYBQLFMBT-UHFFFAOYSA-N

Compound name

5-methyloxolane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
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]+	115.07536	120.4
[M+Na]+	137.05730	128.2
[M-H]-	113.06080	124.6
[M+NH4]+	132.10190	143.7
[M+K]+	153.03124	129.1
[M+H-H2O]+	97.065340	116.1
[M+HCOO]-	159.06628	143.5
[M+CH3COO]-	173.08193	167.3
[M+Na-2H]-	135.04275	126.4
[M]+	114.06753	120.2
[M]-	114.06863	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe