CID 17896361

1-(2-methylbenzoyl)piperidin-4-one

Structural Information

Molecular Formula
C13H15NO2
SMILES
CC1=CC=CC=C1C(=O)N2CCC(=O)CC2
InChI
InChI=1S/C13H15NO2/c1-10-4-2-3-5-12(10)13(16)14-8-6-11(15)7-9-14/h2-5H,6-9H2,1H3
InChIKey
OXHVRXMYJFCTGL-UHFFFAOYSA-N
Compound name
1-(2-methylbenzoyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

217.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 149.4
[M+Na]+ 240.09950 162.2
[M+NH4]+ 235.14410 157.5
[M+K]+ 256.07344 155.5
[M-H]- 216.10300 152.6
[M+Na-2H]- 238.08495 156.3
[M]+ 217.10973 152.0
[M]- 217.11083 152.0
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