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

15
Patents

259.94467 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.95195 137.0
[M+Na]+ 282.93389 142.3
[M-H]- 258.93739 132.3
[M+NH4]+ 277.97849 150.2
[M+K]+ 298.90783 144.4
[M+H-H2O]+ 242.94193 122.0
[M+HCOO]- 304.94287 151.4
[M+CH3COO]- 318.95852 194.7
[M+Na-2H]- 280.91934 131.8
[M]+ 259.94412 129.6
[M]- 259.94522 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