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

33461
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

literature stripe

Patent stripe

patents stripe