CID 11275417

2-iodoprop-2-en-1-ol

Structural Information

Molecular Formula
C3H5IO
SMILES
C=C(CO)I
InChI
InChI=1S/C3H5IO/c1-3(4)2-5/h5H,1-2H2
InChIKey
FHHWTHLPJBYMGP-UHFFFAOYSA-N
Compound name
2-iodoprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

183.9385 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.945776 122.7
[M+Na]+ 206.927718 123.6
[M-H]- 182.931224 115.5
[M+NH4]+ 201.972323 141.1
[M+K]+ 222.901658 128.9
[M+H-H2O]+ 166.935760 115.5
[M+HCOO]- 228.936701 140.1
[M+CH3COO]- 242.952351 169.9
[M+Na-2H]- 204.913166 116.8
[M]+ 183.93795142 118.8
[M]- 183.93904858 118.8
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