CID 13062324

1-(3-aminophenyl)piperidin-2-one

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CCN(C(=O)C1)C2=CC=CC(=C2)N
InChI
InChI=1S/C11H14N2O/c12-9-4-3-5-10(8-9)13-7-2-1-6-11(13)14/h3-5,8H,1-2,6-7,12H2
InChIKey
IKAXDWLBXTZJNN-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

90
Patents

190.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 141.6
[M+Na]+ 213.099828 147.8
[M-H]- 189.103334 146.1
[M+NH4]+ 208.144433 159.2
[M+K]+ 229.073768 144.6
[M+H-H2O]+ 173.107870 133.9
[M+HCOO]- 235.108811 162.3
[M+CH3COO]- 249.124461 184.3
[M+Na-2H]- 211.085276 146.3
[M]+ 190.11006142 135.7
[M]- 190.11115858 135.7
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