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]+ 205.13355 146.3
[M+Na]+ 227.11549 153.0
[M-H]- 203.11899 151.0
[M+NH4]+ 222.16009 163.6
[M+K]+ 243.08943 149.5
[M+H-H2O]+ 187.12353 138.6
[M+HCOO]- 249.12447 166.5
[M+CH3COO]- 263.14012 188.5
[M+Na-2H]- 225.10094 149.6
[M]+ 204.12572 141.1
[M]- 204.12682 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.