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

424
Patents

243.95964 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.96692 138.9
[M+Na]+ 266.94886 139.3
[M-H]- 242.95236 132.8
[M+NH4]+ 261.99346 155.8
[M+K]+ 282.92280 146.3
[M+H-H2O]+ 226.95690 130.8
[M+HCOO]- 288.95784 156.7
[M+CH3COO]- 302.97349 181.4
[M+Na-2H]- 264.93431 131.1
[M]+ 243.95909 139.5
[M]- 243.96019 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