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

26
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 148.1
[M+Na]+ 240.09950 154.3
[M-H]- 216.10300 153.0
[M+NH4]+ 235.14410 165.0
[M+K]+ 256.07344 151.5
[M+H-H2O]+ 200.10754 140.4
[M+HCOO]- 262.10848 167.1
[M+CH3COO]- 276.12413 187.5
[M+Na-2H]- 238.08495 151.2
[M]+ 217.10973 144.6
[M]- 217.11083 144.6
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