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]+ 218.117556 148.1
[M+Na]+ 240.099498 154.3
[M-H]- 216.103004 153.0
[M+NH4]+ 235.144103 165.0
[M+K]+ 256.073438 151.5
[M+H-H2O]+ 200.107540 140.4
[M+HCOO]- 262.108481 167.1
[M+CH3COO]- 276.124131 187.5
[M+Na-2H]- 238.084946 151.2
[M]+ 217.10973142 144.6
[M]- 217.11082858 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