CID 11120

Dimethyl oxalate

Structural Information

Molecular Formula

C₄H₆O₄

SMILES

COC(=O)C(=O)OC

InChI

InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3

InChIKey

LOMVENUNSWAXEN-UHFFFAOYSA-N

Compound name

dimethyl oxalate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 20
References: 14790
Patents: 118.02661 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]+	119.03389	120.7
[M+Na]+	141.01583	130.2
[M+NH4]+	136.06043	127.3
[M+K]+	156.98977	127.3
[M-H]-	117.01933	118.4
[M+Na-2H]-	139.00128	123.5
[M]+	118.02606	121.0
[M]-	118.02716	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe