CID 39926

Butyrophenone, 4-(2-methylpiperidino)-, hydrochloride

Structural Information

Molecular Formula
C16H23NO
SMILES
CC1CCCCN1CCCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO/c1-14-8-5-6-12-17(14)13-7-11-16(18)15-9-3-2-4-10-15/h2-4,9-10,14H,5-8,11-13H2,1H3
InChIKey
DYEKCERXJGJWKL-UHFFFAOYSA-N
Compound name
4-(2-methylpiperidin-1-yl)-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 160.1
[M+Na]+ 268.16718 163.6
[M-H]- 244.17068 163.9
[M+NH4]+ 263.21178 175.6
[M+K]+ 284.14112 160.2
[M+H-H2O]+ 228.17522 151.6
[M+HCOO]- 290.17616 177.6
[M+CH3COO]- 304.19181 194.8
[M+Na-2H]- 266.15263 162.2
[M]+ 245.17741 156.5
[M]- 245.17851 156.5
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

No patent data available for this compound.