CID 45142

2-hydroxyethyl iodoacetate

Structural Information

Molecular Formula
C4H7IO3
SMILES
C(COC(=O)CI)O
InChI
InChI=1S/C4H7IO3/c5-3-4(7)8-2-1-6/h6H,1-3H2
InChIKey
FOIIJWYEDSCAHL-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2-iodoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.94398 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95126 136.1
[M+Na]+ 252.93320 136.5
[M-H]- 228.93670 128.7
[M+NH4]+ 247.97780 152.7
[M+K]+ 268.90714 142.4
[M+H-H2O]+ 212.94124 128.1
[M+HCOO]- 274.94218 153.6
[M+CH3COO]- 288.95783 175.9
[M+Na-2H]- 250.91865 129.3
[M]+ 229.94343 135.1
[M]- 229.94453 135.1
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