CID 3354774

4-iodobutyric acid

Structural Information

Molecular Formula
C4H7IO2
SMILES
C(CC(=O)O)CI
InChI
InChI=1S/C4H7IO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
InChIKey
HALXOXQZONRCAB-UHFFFAOYSA-N
Compound name
4-iodobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

537
Patents

213.94908 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.956356 132.0
[M+Na]+ 236.938298 132.3
[M-H]- 212.941804 124.5
[M+NH4]+ 231.982903 149.1
[M+K]+ 252.912238 137.9
[M+H-H2O]+ 196.946340 124.2
[M+HCOO]- 258.947281 149.2
[M+CH3COO]- 272.962931 174.6
[M+Na-2H]- 234.923746 125.3
[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

literature stripe

Patent stripe

patents stripe