CID 18679245

3-amino-1-benzylpiperidin-2-one

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1CC(C(=O)N(C1)CC2=CC=CC=C2)N
InChI
InChI=1S/C12H16N2O/c13-11-7-4-8-14(12(11)15)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,13H2
InChIKey
ZRGMEPVPIGRPOL-UHFFFAOYSA-N
Compound name
3-amino-1-benzylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.12627 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 146.2
[M+Na]+ 227.11549 151.9
[M-H]- 203.11899 150.4
[M+NH4]+ 222.16009 163.1
[M+K]+ 243.08943 148.4
[M+H-H2O]+ 187.12353 138.2
[M+HCOO]- 249.12447 166.4
[M+CH3COO]- 263.14012 187.3
[M+Na-2H]- 225.10094 150.3
[M]+ 204.12572 140.5
[M]- 204.12682 140.5
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