CID 45090290

773140-46-8

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

CCOC(=O)C1C(=O)CCO1

InChI

InChI=1S/C7H10O4/c1-2-10-7(9)6-5(8)3-4-11-6/h6H,2-4H2,1H3

InChIKey

PPOKAXVLCMKPAZ-UHFFFAOYSA-N

Compound name

ethyl 3-oxooxolane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 158.0579 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]+	159.065176	130.0
[M+Na]+	181.047118	137.4
[M-H]-	157.050624	134.2
[M+NH4]+	176.091723	151.3
[M+K]+	197.021058	138.7
[M+H-H2O]+	141.055160	125.4
[M+HCOO]-	203.056101	152.4
[M+CH3COO]-	217.071751	173.8
[M+Na-2H]-	179.032566	134.4
[M]+	158.05735142	131.7
[M]-	158.05844858	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe