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]+ 205.133546 146.2
[M+Na]+ 227.115488 151.9
[M-H]- 203.118994 150.4
[M+NH4]+ 222.160093 163.1
[M+K]+ 243.089428 148.4
[M+H-H2O]+ 187.123530 138.2
[M+HCOO]- 249.124471 166.4
[M+CH3COO]- 263.140121 187.3
[M+Na-2H]- 225.100936 150.3
[M]+ 204.12572142 140.5
[M]- 204.12681858 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