CID 122163393

Methyl 3-methoxyoxolane-3-carboxylate

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

COC(=O)C1(CCOC1)OC

InChI

InChI=1S/C7H12O4/c1-9-6(8)7(10-2)3-4-11-5-7/h3-5H2,1-2H3

InChIKey

SXZUQISHAIFDRZ-UHFFFAOYSA-N

Compound name

methyl 3-methoxyoxolane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 160.07356 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]+	161.080836	131.0
[M+Na]+	183.062778	138.0
[M-H]-	159.066284	135.1
[M+NH4]+	178.107383	154.0
[M+K]+	199.036718	140.2
[M+H-H2O]+	143.070820	127.0
[M+HCOO]-	205.071761	153.2
[M+CH3COO]-	219.087411	173.0
[M+Na-2H]-	181.048226	137.3
[M]+	160.07301142	133.3
[M]-	160.07410858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.