CID 492925

(6r,7s)-n-benzyl-6,7-dimethyl-bicyclo[3.2.1]octan-8-amine

Structural Information

Molecular Formula
C17H25N
SMILES
C[C@@H]1[C@@H](C2CCCC1C2NCC3=CC=CC=C3)C
InChI
InChI=1S/C17H25N/c1-12-13(2)16-10-6-9-15(12)17(16)18-11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15-18H,6,9-11H2,1-2H3/t12-,13+,15?,16?,17?
InChIKey
OBJLKZMQMIAMDY-YYLNZVPVSA-N
Compound name
(6R,7S)-N-benzyl-6,7-dimethylbicyclo[3.2.1]octan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1987 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20598 159.0
[M+Na]+ 266.18792 163.9
[M-H]- 242.19142 164.2
[M+NH4]+ 261.23252 179.8
[M+K]+ 282.16186 159.2
[M+H-H2O]+ 226.19596 152.4
[M+HCOO]- 288.19690 178.0
[M+CH3COO]- 302.21255 170.2
[M+Na-2H]- 264.17337 161.1
[M]+ 243.19815 155.3
[M]- 243.19925 155.3
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.