CID 10727811

36769-16-1

Structural Information

Molecular Formula
C13H17N
SMILES
C1C[C@H]2CC(C[C@@H]1N2)C3=CC=CC=C3
InChI
InChI=1S/C13H17N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,11-14H,6-9H2/t11?,12-,13+
InChIKey
ORRDHOXURKUQRK-YHWZYXNKSA-N
Compound name
(1S,5R)-3-phenyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

187.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 142.2
[M+Na]+ 210.12532 147.4
[M-H]- 186.12882 144.7
[M+NH4]+ 205.16992 163.0
[M+K]+ 226.09926 142.8
[M+H-H2O]+ 170.13336 135.3
[M+HCOO]- 232.13430 158.8
[M+CH3COO]- 246.14995 153.6
[M+Na-2H]- 208.11077 146.9
[M]+ 187.13555 135.7
[M]- 187.13665 135.7
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