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
4
Annotation Hits

20
References

18165
Patents

118.02661 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.03389 118.6
[M+Na]+ 141.01583 127.0
[M-H]- 117.01933 119.6
[M+NH4]+ 136.06043 141.2
[M+K]+ 156.98977 129.0
[M+H-H2O]+ 101.02387 114.4
[M+HCOO]- 163.02481 142.5
[M+CH3COO]- 177.04046 166.9
[M+Na-2H]- 139.00128 124.4
[M]+ 118.02606 122.1
[M]- 118.02716 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe