CID 332983

89898-49-7

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

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

InChI

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

InChIKey

KVDHLXBTYUCUCR-UHFFFAOYSA-N

Compound name

methyl 2-methyl-4-oxooxolane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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	129.0
[M+Na]+	181.04712	137.3
[M-H]-	157.05062	133.6
[M+NH4]+	176.09172	150.7
[M+K]+	197.02106	138.6
[M+H-H2O]+	141.05516	124.7
[M+HCOO]-	203.05610	151.4
[M+CH3COO]-	217.07175	175.0
[M+Na-2H]-	179.03257	132.8
[M]+	158.05735	131.1
[M]-	158.05845	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe