CID 20554

4-piperidinobutyrophenone

Structural Information

Molecular Formula
C15H21NO
SMILES
C1CCN(CC1)CCCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO/c17-15(14-8-3-1-4-9-14)10-7-13-16-11-5-2-6-12-16/h1,3-4,8-9H,2,5-7,10-13H2
InChIKey
WLTFPYVGECWXFO-UHFFFAOYSA-N
Compound name
1-phenyl-4-piperidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

231.16231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 155.9
[M+Na]+ 254.15153 158.8
[M-H]- 230.15503 159.4
[M+NH4]+ 249.19613 171.5
[M+K]+ 270.12547 155.6
[M+H-H2O]+ 214.15957 147.2
[M+HCOO]- 276.16051 173.6
[M+CH3COO]- 290.17616 190.7
[M+Na-2H]- 252.13698 159.1
[M]+ 231.16176 151.5
[M]- 231.16286 151.5
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