CID 14765037

2-(2-iodoethoxy)ethan-1-ol

Structural Information

Molecular Formula
C4H9IO2
SMILES
C(COCCI)O
InChI
InChI=1S/C4H9IO2/c5-1-3-7-4-2-6/h6H,1-4H2
InChIKey
FJXHFMCXXSYPIE-UHFFFAOYSA-N
Compound name
2-(2-iodoethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

215.96474 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.972016 133.9
[M+Na]+ 238.953958 134.2
[M-H]- 214.957464 126.3
[M+NH4]+ 233.998563 151.1
[M+K]+ 254.927898 139.9
[M+H-H2O]+ 198.962000 126.0
[M+HCOO]- 260.962941 151.9
[M+CH3COO]- 274.978591 174.7
[M+Na-2H]- 236.939406 128.3
[M]+ 215.96419142 132.9
[M]- 215.96528858 132.9
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