CID 64236872

3-amino-1-(3-methylphenyl)piperidin-2-one

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1=CC(=CC=C1)N2CCCC(C2=O)N
InChI
InChI=1S/C12H16N2O/c1-9-4-2-5-10(8-9)14-7-3-6-11(13)12(14)15/h2,4-5,8,11H,3,6-7,13H2,1H3
InChIKey
AYTKOBFSJJUUAW-UHFFFAOYSA-N
Compound name
3-amino-1-(3-methylphenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 146.3
[M+Na]+ 227.115488 153.0
[M-H]- 203.118994 151.0
[M+NH4]+ 222.160093 163.6
[M+K]+ 243.089428 149.5
[M+H-H2O]+ 187.123530 138.6
[M+HCOO]- 249.124471 166.5
[M+CH3COO]- 263.140121 188.5
[M+Na-2H]- 225.100936 149.6
[M]+ 204.12572142 141.1
[M]- 204.12681858 141.1
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

No patent data available for this compound.