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

22899
Patents

134.02153 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.028806 121.3
[M+Na]+ 157.010748 129.7
[M-H]- 133.014254 122.3
[M+NH4]+ 152.055353 143.3
[M+K]+ 172.984688 132.2
[M+H-H2O]+ 117.018790 116.9
[M+HCOO]- 179.019731 145.5
[M+CH3COO]- 193.035381 168.3
[M+Na-2H]- 154.996196 127.2
[M]+ 134.02098142 126.2
[M]- 134.02207858 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