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
(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

187.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.143376 142.2
[M+Na]+ 210.125318 147.4
[M-H]- 186.128824 144.7
[M+NH4]+ 205.169923 163.0
[M+K]+ 226.099258 142.8
[M+H-H2O]+ 170.133360 135.3
[M+HCOO]- 232.134301 158.8
[M+CH3COO]- 246.149951 153.6
[M+Na-2H]- 208.110766 146.9
[M]+ 187.13555142 135.7
[M]- 187.13664858 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