CID 13062325

1-(5-amino-2-methoxyphenyl)piperidin-2-one

Structural Information

Molecular Formula
C12H16N2O2
SMILES
COC1=C(C=C(C=C1)N)N2CCCCC2=O
InChI
InChI=1S/C12H16N2O2/c1-16-11-6-5-9(13)8-10(11)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7,13H2,1H3
InChIKey
ICONSLWIKCFACJ-UHFFFAOYSA-N
Compound name
1-(5-amino-2-methoxyphenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

220.12119 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.7
[M+Na]+ 243.11041 161.7
[M+NH4]+ 238.15501 157.6
[M+K]+ 259.08435 155.4
[M-H]- 219.11391 153.4
[M+Na-2H]- 241.09586 156.3
[M]+ 220.12064 152.2
[M]- 220.12174 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe