CID 10887916

55341-13-4

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

CC1(CCOC1=O)C=O

InChI

InChI=1S/C6H8O3/c1-6(4-7)2-3-9-5(6)8/h4H,2-3H2,1H3

InChIKey

YDXSEFRDFYVFSA-UHFFFAOYSA-N

Compound name

3-methyl-2-oxooxolane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 128.04735 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]+	129.05463	120.2
[M+Na]+	151.03657	129.2
[M-H]-	127.04007	124.9
[M+NH4]+	146.08117	144.9
[M+K]+	167.01051	130.0
[M+H-H2O]+	111.04461	116.9
[M+HCOO]-	173.04555	143.8
[M+CH3COO]-	187.06120	168.0
[M+Na-2H]-	149.02202	127.7
[M]+	128.04680	121.1
[M]-	128.04790	121.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe