CID 10922254

Ethyl 2-iodopropionate

Structural Information

Molecular Formula
C5H9IO2
SMILES
CCOC(=O)C(C)I
InChI
InChI=1S/C5H9IO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
InChIKey
AVMMXNKUHBWIMU-UHFFFAOYSA-N
Compound name
ethyl 2-iodopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

227.96474 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe