CID 13869709

1-ethoxy-2-iodoethane

Structural Information

Molecular Formula
C4H9IO
SMILES
CCOCCI
InChI
InChI=1S/C4H9IO/c1-2-6-4-3-5/h2-4H2,1H3
InChIKey
YZWJRUFHOBINIK-UHFFFAOYSA-N
Compound name
1-ethoxy-2-iodoethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

199.9698 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97708 127.8
[M+Na]+ 222.95902 128.5
[M-H]- 198.96252 121.6
[M+NH4]+ 218.00362 146.4
[M+K]+ 238.93296 134.8
[M+H-H2O]+ 182.96706 120.0
[M+HCOO]- 244.96800 147.0
[M+CH3COO]- 258.98365 175.5
[M+Na-2H]- 220.94447 123.0
[M]+ 199.96925 127.3
[M]- 199.97035 127.3
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