CID 3045746

(+-)-1-phenyl-6-(2-propenyl)-6-azabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C16H21N
SMILES
C=CCN1CC2(CCCC1C2)C3=CC=CC=C3
InChI
InChI=1S/C16H21N/c1-2-11-17-13-16(10-6-9-15(17)12-16)14-7-4-3-5-8-14/h2-5,7-8,15H,1,6,9-13H2
InChIKey
HGLOLJDJUXKHGE-UHFFFAOYSA-N
Compound name
1-phenyl-6-prop-2-enyl-6-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.1674 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17468 155.6
[M+Na]+ 250.15662 161.2
[M-H]- 226.16012 159.3
[M+NH4]+ 245.20122 177.4
[M+K]+ 266.13056 156.2
[M+H-H2O]+ 210.16466 148.0
[M+HCOO]- 272.16560 172.9
[M+CH3COO]- 286.18125 166.7
[M+Na-2H]- 248.14207 159.8
[M]+ 227.16685 151.4
[M]- 227.16795 151.4
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.