CID 60145924

1378640-39-1

Structural Information

Molecular Formula
C7H5IN2O
SMILES
CC1=C(C(=O)NC=C1I)C#N
InChI
InChI=1S/C7H5IN2O/c1-4-5(2-9)7(11)10-3-6(4)8/h3H,1H3,(H,10,11)
InChIKey
JXJWUDGTXHXEOT-UHFFFAOYSA-N
Compound name
5-iodo-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

259.94467 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.951946 137.0
[M+Na]+ 282.933888 142.3
[M-H]- 258.937394 132.3
[M+NH4]+ 277.978493 150.2
[M+K]+ 298.907828 144.4
[M+H-H2O]+ 242.941930 122.0
[M+HCOO]- 304.942871 151.4
[M+CH3COO]- 318.958521 194.7
[M+Na-2H]- 280.919336 131.8
[M]+ 259.94412142 129.6
[M]- 259.94521858 129.6
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