CID 18070115

1-(4-aminopiperidin-1-yl)-2-phenylbutan-1-one

Structural Information

Molecular Formula
C15H22N2O
SMILES
CCC(C1=CC=CC=C1)C(=O)N2CCC(CC2)N
InChI
InChI=1S/C15H22N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-10-8-13(16)9-11-17/h3-7,13-14H,2,8-11,16H2,1H3
InChIKey
BIJWTMSEBYWEAD-UHFFFAOYSA-N
Compound name
1-(4-aminopiperidin-1-yl)-2-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

246.17322 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 160.3
[M+Na]+ 269.16244 163.3
[M-H]- 245.16594 163.9
[M+NH4]+ 264.20704 175.2
[M+K]+ 285.13638 160.1
[M+H-H2O]+ 229.17048 151.9
[M+HCOO]- 291.17142 177.6
[M+CH3COO]- 305.18707 196.3
[M+Na-2H]- 267.14789 161.1
[M]+ 246.17267 154.0
[M]- 246.17377 154.0
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