CID 20494978

1-(5-amino-2-methylphenyl)piperidin-2-one

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1=C(C=C(C=C1)N)N2CCCCC2=O
InChI
InChI=1S/C12H16N2O/c1-9-5-6-10(13)8-11(9)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7,13H2,1H3
InChIKey
ROFVFYUZNNIHNE-UHFFFAOYSA-N
Compound name
1-(5-amino-2-methylphenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

204.12627 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe