CID 139886478

(2e)-2-iodobut-2-ene-1,4-diol

Structural Information

Molecular Formula
C4H7IO2
SMILES
C(/C=C(\CO)/I)O
InChI
InChI=1S/C4H7IO2/c5-4(3-7)1-2-6/h1,6-7H,2-3H2/b4-1+
InChIKey
FTFFVUNQEUALNI-DAFODLJHSA-N
Compound name
(E)-2-iodobut-2-ene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.94908 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.956356 133.9
[M+Na]+ 236.938298 133.9
[M-H]- 212.941804 125.2
[M+NH4]+ 231.982903 150.5
[M+K]+ 252.912238 138.6
[M+H-H2O]+ 196.946340 126.4
[M+HCOO]- 258.947281 149.7
[M+CH3COO]- 272.962931 171.5
[M+Na-2H]- 234.923746 126.6
[M]+ 213.94853142 129.7
[M]- 213.94962858 129.7
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

No patent data available for this compound.