CID 64237706

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

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1=CC=CC=C1N2CCCC(C2=O)N
InChI
InChI=1S/C12H16N2O/c1-9-5-2-3-7-11(9)14-8-4-6-10(13)12(14)15/h2-3,5,7,10H,4,6,8,13H2,1H3
InChIKey
UDWIUYVUFJKMQK-UHFFFAOYSA-N
Compound name
3-amino-1-(2-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 146.6
[M+Na]+ 227.11549 159.1
[M+NH4]+ 222.16009 155.1
[M+K]+ 243.08943 152.3
[M-H]- 203.11899 150.9
[M+Na-2H]- 225.10094 153.7
[M]+ 204.12572 149.4
[M]- 204.12682 149.4
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.