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

6
Patents

246.17322 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.180496 160.3
[M+Na]+ 269.162438 163.3
[M-H]- 245.165944 163.9
[M+NH4]+ 264.207043 175.2
[M+K]+ 285.136378 160.1
[M+H-H2O]+ 229.170480 151.9
[M+HCOO]- 291.171421 177.6
[M+CH3COO]- 305.187071 196.3
[M+Na-2H]- 267.147886 161.1
[M]+ 246.17267142 154.0
[M]- 246.17376858 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