CID 12769286

Iodomethyl methyl carbonate

Structural Information

Molecular Formula
C3H5IO3
SMILES
COC(=O)OCI
InChI
InChI=1S/C3H5IO3/c1-6-3(5)7-2-4/h2H2,1H3
InChIKey
JKYRBGSRNKUKPW-UHFFFAOYSA-N
Compound name
iodomethyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

215.92834 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.93562 129.3
[M+Na]+ 238.91756 130.6
[M-H]- 214.92106 123.5
[M+NH4]+ 233.96216 147.2
[M+K]+ 254.89150 137.8
[M+H-H2O]+ 198.92560 121.5
[M+HCOO]- 260.92654 148.6
[M+CH3COO]- 274.94219 174.9
[M+Na-2H]- 236.90301 123.8
[M]+ 215.92779 129.8
[M]- 215.92889 129.8
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

patents stripe