CID 42553066

313678-93-2

Structural Information

Molecular Formula
C6H6INO
SMILES
CC1=CNC(=O)C(=C1)I
InChI
InChI=1S/C6H6INO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
InChIKey
ASWXKNUHPBTHJI-UHFFFAOYSA-N
Compound name
3-iodo-5-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

234.94942 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.95670 131.0
[M+Na]+ 257.93864 137.0
[M+NH4]+ 252.98324 135.0
[M+K]+ 273.91258 134.2
[M-H]- 233.94214 126.0
[M+Na-2H]- 255.92409 125.4
[M]+ 234.94887 129.3
[M]- 234.94997 129.3
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