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

32
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 146.8
[M+Na]+ 224.14097 151.6
[M-H]- 200.14447 149.1
[M+NH4]+ 219.18557 167.0
[M+K]+ 240.11491 146.7
[M+H-H2O]+ 184.14901 139.7
[M+HCOO]- 246.14995 163.1
[M+CH3COO]- 260.16560 157.7
[M+Na-2H]- 222.12642 150.9
[M]+ 201.15120 140.6
[M]- 201.15230 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