CID 12183

Ethyl iodoacetate

Structural Information

Molecular Formula
C4H7IO2
SMILES
CCOC(=O)CI
InChI
InChI=1S/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3
InChIKey
MFFXVVHUKRKXCI-UHFFFAOYSA-N
Compound name
ethyl 2-iodoacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

2689
Patents

213.94908 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.95636 130.1
[M+Na]+ 236.93830 131.0
[M-H]- 212.94180 124.0
[M+NH4]+ 231.98290 148.1
[M+K]+ 252.91224 137.4
[M+H-H2O]+ 196.94634 122.2
[M+HCOO]- 258.94728 148.8
[M+CH3COO]- 272.96293 176.6
[M+Na-2H]- 234.92375 124.1
[M]+ 213.94853 129.6
[M]- 213.94963 129.6
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