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 128.9
[M+Na]+ 257.93864 131.9
[M-H]- 233.94214 123.8
[M+NH4]+ 252.98324 144.6
[M+K]+ 273.91258 135.3
[M+H-H2O]+ 217.94668 120.0
[M+HCOO]- 279.94762 146.8
[M+CH3COO]- 293.96327 177.8
[M+Na-2H]- 255.92409 124.4
[M]+ 234.94887 125.5
[M]- 234.94997 125.5
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