CID 99266

3-phenyl-1-piperidino-2-propyn-1-one

Structural Information

Molecular Formula
C14H15NO
SMILES
C1CCN(CC1)C(=O)C#CC2=CC=CC=C2
InChI
InChI=1S/C14H15NO/c16-14(15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,11-12H2
InChIKey
UZCUKRQNGYSLLG-UHFFFAOYSA-N
Compound name
3-phenyl-1-piperidin-1-ylprop-2-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

213.11537 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 150.7
[M+Na]+ 236.10459 157.8
[M-H]- 212.10809 152.6
[M+NH4]+ 231.14919 165.3
[M+K]+ 252.07853 151.7
[M+H-H2O]+ 196.11263 136.7
[M+HCOO]- 258.11357 163.5
[M+CH3COO]- 272.12922 191.9
[M+Na-2H]- 234.09004 153.5
[M]+ 213.11482 140.2
[M]- 213.11592 140.2
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