CID 14649

3-(p-aminobenzyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane dihydrochloride

Structural Information

Molecular Formula
C17H26N2
SMILES
CC1(C2CCC1(CN(C2)CC3=CC=C(C=C3)N)C)C
InChI
InChI=1S/C17H26N2/c1-16(2)14-8-9-17(16,3)12-19(11-14)10-13-4-6-15(18)7-5-13/h4-7,14H,8-12,18H2,1-3H3
InChIKey
DMIPPSDWOIHURG-UHFFFAOYSA-N
Compound name
4-[(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.2096 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.21688 163.1
[M+Na]+ 281.19882 174.2
[M+NH4]+ 276.24342 175.6
[M+K]+ 297.17276 164.3
[M-H]- 257.20232 167.0
[M+Na-2H]- 279.18427 170.1
[M]+ 258.20905 166.1
[M]- 258.21015 166.1
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

No patent data available for this compound.