CID 3045727

Endo-(+-)-6,7-dimethyl-1-phenyl-6-azabicyclo(3.2.1)octane hydrochloride

Structural Information

Molecular Formula
C15H21N
SMILES
CC1C2(CCCC(C2)N1C)C3=CC=CC=C3
InChI
InChI=1S/C15H21N/c1-12-15(13-7-4-3-5-8-13)10-6-9-14(11-15)16(12)2/h3-5,7-8,12,14H,6,9-11H2,1-2H3
InChIKey
IJKVNCVULMELLQ-UHFFFAOYSA-N
Compound name
6,7-dimethyl-1-phenyl-6-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 151.7
[M+Na]+ 238.15662 158.5
[M-H]- 214.16012 156.0
[M+NH4]+ 233.20122 174.4
[M+K]+ 254.13056 154.3
[M+H-H2O]+ 198.16466 144.6
[M+HCOO]- 260.16560 169.2
[M+CH3COO]- 274.18125 163.6
[M+Na-2H]- 236.14207 155.8
[M]+ 215.16685 148.3
[M]- 215.16795 148.3
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.