CID 3086

Dimethyl dicarbonate

Structural Information

Molecular Formula
C4H6O5
SMILES
COC(=O)OC(=O)OC
InChI
InChI=1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3
InChIKey
GZDFHIJNHHMENY-UHFFFAOYSA-N
Compound name
methoxycarbonyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

24
References

22779
Patents

134.02153 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02881 121.3
[M+Na]+ 157.01075 129.7
[M-H]- 133.01425 122.3
[M+NH4]+ 152.05535 143.3
[M+K]+ 172.98469 132.2
[M+H-H2O]+ 117.01879 116.9
[M+HCOO]- 179.01973 145.5
[M+CH3COO]- 193.03538 168.3
[M+Na-2H]- 154.99620 127.2
[M]+ 134.02098 126.2
[M]- 134.02208 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.