CID 86713150

Schembl15611843

Structural Information

Molecular Formula
C5H7IO2
SMILES
CC/C(=C/C(=O)O)/I
InChI
InChI=1S/C5H7IO2/c1-2-4(6)3-5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3-
InChIKey
UFNWNYLVHAABMZ-ARJAWSKDSA-N
Compound name
(Z)-3-iodopent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

225.94908 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.956356 134.6
[M+Na]+ 248.938298 134.8
[M-H]- 224.941804 127.2
[M+NH4]+ 243.982903 151.3
[M+K]+ 264.912238 139.9
[M+H-H2O]+ 208.946340 126.9
[M+HCOO]- 270.947281 150.9
[M+CH3COO]- 284.962931 176.8
[M+Na-2H]- 246.923746 126.3
[M]+ 225.94853142 131.3
[M]- 225.94962858 131.3
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

patents stripe