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]+ 216.174676 151.7
[M+Na]+ 238.156618 158.5
[M-H]- 214.160124 156.0
[M+NH4]+ 233.201223 174.4
[M+K]+ 254.130558 154.3
[M+H-H2O]+ 198.164660 144.6
[M+HCOO]- 260.165601 169.2
[M+CH3COO]- 274.181251 163.6
[M+Na-2H]- 236.142066 155.8
[M]+ 215.16685142 148.3
[M]- 215.16794858 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.