CID 10376456

Iodomethyl 2-methylpropanoate

Structural Information

Molecular Formula
C5H9IO2
SMILES
CC(C)C(=O)OCI
InChI
InChI=1S/C5H9IO2/c1-4(2)5(7)8-3-6/h4H,3H2,1-2H3
InChIKey
KWIBRJGXWFDQNU-UHFFFAOYSA-N
Compound name
iodomethyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

227.96474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.97202 134.7
[M+Na]+ 250.95396 135.0
[M-H]- 226.95746 128.6
[M+NH4]+ 245.99856 152.1
[M+K]+ 266.92790 141.6
[M+H-H2O]+ 210.96200 126.8
[M+HCOO]- 272.96294 152.2
[M+CH3COO]- 286.97859 180.2
[M+Na-2H]- 248.93941 127.0
[M]+ 227.96419 133.9
[M]- 227.96529 133.9
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