CID 14629

3-benzyl-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane hydrochloride

Structural Information

Molecular Formula
C17H25N
SMILES
CC1(C2CCC1(CN(C2)CC3=CC=CC=C3)C)C
InChI
InChI=1S/C17H25N/c1-16(2)15-9-10-17(16,3)13-18(12-15)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKey
PNHINMKIBRRRFC-UHFFFAOYSA-N
Compound name
3-benzyl-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1987 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20598 160.2
[M+Na]+ 266.18792 167.2
[M-H]- 242.19142 164.5
[M+NH4]+ 261.23252 183.8
[M+K]+ 282.16186 162.7
[M+H-H2O]+ 226.19596 153.0
[M+HCOO]- 288.19690 177.0
[M+CH3COO]- 302.21255 171.7
[M+Na-2H]- 264.17337 164.3
[M]+ 243.19815 157.8
[M]- 243.19925 157.8
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.