CID 15870216

258841-42-8

Structural Information

Molecular Formula
C5H9IO3
SMILES
CC(C)OC(=O)OCI
InChI
InChI=1S/C5H9IO3/c1-4(2)9-5(7)8-3-6/h4H,3H2,1-2H3
InChIKey
DHEPIQOGGUAJGR-UHFFFAOYSA-N
Compound name
iodomethyl propan-2-yl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
Patents

243.95964 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.966916 138.9
[M+Na]+ 266.948858 139.3
[M-H]- 242.952364 132.8
[M+NH4]+ 261.993463 155.8
[M+K]+ 282.922798 146.3
[M+H-H2O]+ 226.956900 130.8
[M+HCOO]- 288.957841 156.7
[M+CH3COO]- 302.973491 181.4
[M+Na-2H]- 264.934306 131.1
[M]+ 243.95909142 139.5
[M]- 243.96018858 139.5
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