CID 20710910

2-amino-1-(4-methylpiperidin-1-yl)-2-phenylethan-1-one hydrochloride

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC1CCN(CC1)C(=O)C(C2=CC=CC=C2)N
InChI
InChI=1S/C14H20N2O/c1-11-7-9-16(10-8-11)14(17)13(15)12-5-3-2-4-6-12/h2-6,11,13H,7-10,15H2,1H3
InChIKey
UAODYYGGWKKBBG-UHFFFAOYSA-N
Compound name
2-amino-1-(4-methylpiperidin-1-yl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.15756 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 155.8
[M+Na]+ 255.14678 159.2
[M-H]- 231.15028 159.5
[M+NH4]+ 250.19138 171.2
[M+K]+ 271.12072 156.3
[M+H-H2O]+ 215.15482 147.6
[M+HCOO]- 277.15576 173.4
[M+CH3COO]- 291.17141 193.3
[M+Na-2H]- 253.13223 157.1
[M]+ 232.15701 149.2
[M]- 232.15811 149.2
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