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]+ 202.15903 147.5
[M+Na]+ 224.14097 153.7
[M-H]- 200.14447 151.5
[M+NH4]+ 219.18557 170.4
[M+K]+ 240.11491 149.8
[M+H-H2O]+ 184.14901 140.2
[M+HCOO]- 246.14995 165.3
[M+CH3COO]- 260.16560 159.5
[M+Na-2H]- 222.12642 152.8
[M]+ 201.15120 143.3
[M]- 201.15230 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.