CID 22596764

Ethyl iodomethyl carbonate

Structural Information

Molecular Formula
C4H7IO3
SMILES
CCOC(=O)OCI
InChI
InChI=1S/C4H7IO3/c1-2-7-4(6)8-3-5/h2-3H2,1H3
InChIKey
LZPGAKXEPQTPJB-UHFFFAOYSA-N
Compound name
ethyl iodomethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

229.94398 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95126 134.3
[M+Na]+ 252.93320 135.2
[M-H]- 228.93670 128.2
[M+NH4]+ 247.97780 151.7
[M+K]+ 268.90714 142.1
[M+H-H2O]+ 212.94124 126.2
[M+HCOO]- 274.94218 153.2
[M+CH3COO]- 288.95783 177.8
[M+Na-2H]- 250.91865 128.2
[M]+ 229.94343 135.1
[M]- 229.94453 135.1
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