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

201
Patents

227.96474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.972016 134.7
[M+Na]+ 250.953958 135.0
[M-H]- 226.957464 128.6
[M+NH4]+ 245.998563 152.1
[M+K]+ 266.927898 141.6
[M+H-H2O]+ 210.962000 126.8
[M+HCOO]- 272.962941 152.2
[M+CH3COO]- 286.978591 180.2
[M+Na-2H]- 248.939406 127.0
[M]+ 227.96419142 133.9
[M]- 227.96528858 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