CID 641257

2-propen-1-ol, 3-iodo-, (2e)-

Structural Information

Molecular Formula
C3H5IO
SMILES
C(/C=C/I)O
InChI
InChI=1S/C3H5IO/c4-2-1-3-5/h1-2,5H,3H2/b2-1+
InChIKey
QPQXCZGFJJMKHH-OWOJBTEDSA-N
Compound name
(E)-3-iodoprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

183.9385 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.945776 122.9
[M+Na]+ 206.927718 124.0
[M-H]- 182.931224 115.6
[M+NH4]+ 201.972323 141.4
[M+K]+ 222.901658 129.0
[M+H-H2O]+ 166.935760 115.7
[M+HCOO]- 228.936701 141.2
[M+CH3COO]- 242.952351 168.5
[M+Na-2H]- 204.913166 118.1
[M]+ 183.93795142 119.5
[M]- 183.93904858 119.5
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