CID 58503663

1333154-26-9

Structural Information

Molecular Formula
C6H9IO2
SMILES
CC(C)OC(=O)/C=C\I
InChI
InChI=1S/C6H9IO2/c1-5(2)9-6(8)3-4-7/h3-5H,1-2H3/b4-3-
InChIKey
NHOLWHQNCDTEHC-ARJAWSKDSA-N
Compound name
propan-2-yl (Z)-3-iodoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

239.96474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.97202 137.6
[M+Na]+ 262.95396 137.9
[M-H]- 238.95746 131.4
[M+NH4]+ 257.99856 154.6
[M+K]+ 278.92790 143.7
[M+H-H2O]+ 222.96200 129.6
[M+HCOO]- 284.96294 155.0
[M+CH3COO]- 298.97859 181.5
[M+Na-2H]- 260.93941 129.5
[M]+ 239.96419 136.5
[M]- 239.96529 136.5
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