CID 102953

Methyl tetrahydro-5-methyl-4-oxo-3-furoate

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

CC1C(=O)C(CO1)C(=O)OC

InChI

InChI=1S/C7H10O4/c1-4-6(8)5(3-11-4)7(9)10-2/h4-5H,3H2,1-2H3

InChIKey

WUAVQXXNANXZAV-UHFFFAOYSA-N

Compound name

methyl 5-methyl-4-oxooxolane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 158.0579 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]+	159.06518	131.1
[M+Na]+	181.04712	140.6
[M+NH4]+	176.09172	138.1
[M+K]+	197.02106	139.1
[M-H]-	157.05062	131.9
[M+Na-2H]-	179.03257	133.3
[M]+	158.05735	132.3
[M]-	158.05845	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe