CID 715789

Piperidine, 1-(n-phenylalanyl)-

Structural Information

Molecular Formula
C14H20N2O
SMILES
C1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)N
InChI
InChI=1S/C14H20N2O/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16/h1,3-4,7-8,13H,2,5-6,9-11,15H2/t13-/m0/s1
InChIKey
IZPOHNAFLAXBCQ-ZDUSSCGKSA-N
Compound name
(2S)-2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

26
Patents

232.15756 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 155.8
[M+Na]+ 255.14678 158.2
[M-H]- 231.15028 159.1
[M+NH4]+ 250.19138 170.8
[M+K]+ 271.12072 155.2
[M+H-H2O]+ 215.15482 147.2
[M+HCOO]- 277.15576 173.4
[M+CH3COO]- 291.17141 192.2
[M+Na-2H]- 253.13223 157.8
[M]+ 232.15701 148.7
[M]- 232.15811 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe