CID 3867162

1-phenyl-2-(piperidin-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C13H20N2
SMILES
C1CCN(CC1)CC(C2=CC=CC=C2)N
InChI
InChI=1S/C13H20N2/c14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-11,14H2
InChIKey
XNUTYKUKRPEFKX-UHFFFAOYSA-N
Compound name
1-phenyl-2-piperidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

204.16264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 148.6
[M+Na]+ 227.15186 151.4
[M-H]- 203.15536 151.9
[M+NH4]+ 222.19646 164.9
[M+K]+ 243.12580 148.2
[M+H-H2O]+ 187.15990 140.2
[M+HCOO]- 249.16084 167.1
[M+CH3COO]- 263.17649 187.7
[M+Na-2H]- 225.13731 152.4
[M]+ 204.16209 141.1
[M]- 204.16319 141.1
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