CID 24689242

1-(4-amino-2-methoxyphenyl)piperidin-2-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 149.3
[M+Na]+ 243.11041 155.9
[M-H]- 219.11391 154.0
[M+NH4]+ 238.15501 165.8
[M+K]+ 259.08435 153.0
[M+H-H2O]+ 203.11845 141.4
[M+HCOO]- 265.11939 169.7
[M+CH3COO]- 279.13504 190.6
[M+Na-2H]- 241.09586 152.7
[M]+ 220.12064 145.5
[M]- 220.12174 145.5
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