CID 16793772

1-(4-aminopiperidin-1-yl)-3-phenylpropan-1-one hydrochloride

Structural Information

Molecular Formula
C14H20N2O
SMILES
C1CN(CCC1N)C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O/c15-13-8-10-16(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2
InChIKey
REOFQLMBFWIVGR-UHFFFAOYSA-N
Compound name
1-(4-aminopiperidin-1-yl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

232.15756 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 155.6
[M+Na]+ 255.146778 159.3
[M-H]- 231.150284 159.2
[M+NH4]+ 250.191383 171.1
[M+K]+ 271.120718 155.8
[M+H-H2O]+ 215.154820 147.2
[M+HCOO]- 277.155761 174.2
[M+CH3COO]- 291.171411 192.4
[M+Na-2H]- 253.132226 158.1
[M]+ 232.15701142 149.6
[M]- 232.15810858 149.6
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