CID 137971757

2241142-11-8

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1=CC(=CC=C1CN)C2=CNC(=O)C=C2
InChI
InChI=1S/C12H12N2O/c13-7-9-1-3-10(4-2-9)11-5-6-12(15)14-8-11/h1-6,8H,7,13H2,(H,14,15)
InChIKey
ZJNOJXPRRWZCQS-UHFFFAOYSA-N
Compound name
5-[4-(aminomethyl)phenyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 142.5
[M+Na]+ 223.08418 151.0
[M-H]- 199.08768 146.6
[M+NH4]+ 218.12878 159.2
[M+K]+ 239.05812 145.9
[M+H-H2O]+ 183.09222 135.0
[M+HCOO]- 245.09316 165.6
[M+CH3COO]- 259.10881 183.9
[M+Na-2H]- 221.06963 149.2
[M]+ 200.09441 139.4
[M]- 200.09551 139.4
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.