CID 20118502

2138005-71-5

Structural Information

Molecular Formula
C12H11ClN2O
SMILES
C1=CC(=CC(=C1)Cl)CN2C=C(C=CC2=O)N
InChI
InChI=1S/C12H11ClN2O/c13-10-3-1-2-9(6-10)7-15-8-11(14)4-5-12(15)16/h1-6,8H,7,14H2
InChIKey
XQBUCLWQYIVPHD-UHFFFAOYSA-N
Compound name
5-amino-1-[(3-chlorophenyl)methyl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05598 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06326 148.9
[M+Na]+ 257.04520 159.4
[M-H]- 233.04870 154.4
[M+NH4]+ 252.08980 166.1
[M+K]+ 273.01914 153.5
[M+H-H2O]+ 217.05324 141.8
[M+HCOO]- 279.05418 168.8
[M+CH3COO]- 293.06983 191.3
[M+Na-2H]- 255.03065 154.7
[M]+ 234.05543 150.1
[M]- 234.05653 150.1
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

No patent data available for this compound.