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]+ 214.95636 133.9
[M+Na]+ 236.93830 133.9
[M-H]- 212.94180 125.2
[M+NH4]+ 231.98290 150.5
[M+K]+ 252.91224 138.6
[M+H-H2O]+ 196.94634 126.4
[M+HCOO]- 258.94728 149.7
[M+CH3COO]- 272.96293 171.5
[M+Na-2H]- 234.92375 126.6
[M]+ 213.94853 129.7
[M]- 213.94963 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.