CID 18461105

3-benzyl-8-azabicyclo[3.2.1]octane

Structural Information

Molecular Formula
C14H19N
SMILES
C1CC2CC(CC1N2)CC3=CC=CC=C3
InChI
InChI=1S/C14H19N/c1-2-4-11(5-3-1)8-12-9-13-6-7-14(10-12)15-13/h1-5,12-15H,6-10H2
InChIKey
XEAIOOIYKSSSPU-UHFFFAOYSA-N
Compound name
3-benzyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 146.8
[M+Na]+ 224.140968 151.6
[M-H]- 200.144474 149.1
[M+NH4]+ 219.185573 167.0
[M+K]+ 240.114908 146.7
[M+H-H2O]+ 184.149010 139.7
[M+HCOO]- 246.149951 163.1
[M+CH3COO]- 260.165601 157.7
[M+Na-2H]- 222.126416 150.9
[M]+ 201.15120142 140.6
[M]- 201.15229858 140.6
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

patents stripe