CID 69892

1-benzoylpiperidine

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CCN(CC1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
YXTROGRGRSPWKL-UHFFFAOYSA-N
Compound name
phenyl(piperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

1777
Patents

189.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 142.4
[M+Na]+ 212.104588 146.8
[M-H]- 188.108094 146.6
[M+NH4]+ 207.149193 159.9
[M+K]+ 228.078528 144.3
[M+H-H2O]+ 172.112630 134.5
[M+HCOO]- 234.113571 161.2
[M+CH3COO]- 248.129221 181.0
[M+Na-2H]- 210.090036 147.3
[M]+ 189.11482142 136.9
[M]- 189.11591858 136.9
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