CID 28823855

1-[(3-aminophenyl)methyl]piperidin-2-one

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1CCN(C(=O)C1)CC2=CC(=CC=C2)N
InChI
InChI=1S/C12H16N2O/c13-11-5-3-4-10(8-11)9-14-7-2-1-6-12(14)15/h3-5,8H,1-2,6-7,9,13H2
InChIKey
AZMKJQQYXXKZPF-UHFFFAOYSA-N
Compound name
1-[(3-aminophenyl)methyl]piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.12627 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 146.8
[M+Na]+ 227.11549 158.9
[M+NH4]+ 222.16009 155.3
[M+K]+ 243.08943 151.9
[M-H]- 203.11899 151.0
[M+Na-2H]- 225.10094 154.1
[M]+ 204.12572 149.5
[M]- 204.12682 149.5
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