CID 3045725

(+-)-6-methyl-1-phenyl-6-azabicyclo(3.2.1)octane hydrochloride

Structural Information

Molecular Formula
C14H19N
SMILES
CN1CC2(CCCC1C2)C3=CC=CC=C3
InChI
InChI=1S/C14H19N/c1-15-11-14(9-5-8-13(15)10-14)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKey
UASWCZDVFJJVFS-UHFFFAOYSA-N
Compound name
6-methyl-1-phenyl-6-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

201.15175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.159026 147.5
[M+Na]+ 224.140968 153.7
[M-H]- 200.144474 151.5
[M+NH4]+ 219.185573 170.4
[M+K]+ 240.114908 149.8
[M+H-H2O]+ 184.149010 140.2
[M+HCOO]- 246.149951 165.3
[M+CH3COO]- 260.165601 159.5
[M+Na-2H]- 222.126416 152.8
[M]+ 201.15120142 143.3
[M]- 201.15229858 143.3
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.