CID 11031136

3-iodobut-3-enoic acid

Structural Information

Molecular Formula
C4H5IO2
SMILES
C=C(CC(=O)O)I
InChI
InChI=1S/C4H5IO2/c1-3(5)2-4(6)7/h1-2H2,(H,6,7)
InChIKey
RJISKXKJXKBIPT-UHFFFAOYSA-N
Compound name
3-iodobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.93343 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.94071 128.8
[M+Na]+ 234.92265 130.9
[M+NH4]+ 229.96725 131.6
[M+K]+ 250.89659 130.2
[M-H]- 210.92615 120.8
[M+Na-2H]- 232.90810 119.1
[M]+ 211.93288 125.4
[M]- 211.93398 125.4
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

No patent data available for this compound.