CID 3045778

(+-)-3-(6-azabicyclo(3.2.1)oct-1-yl)phenol hdrobromide

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CC2CC(C1)(CN2)C3=CC(=CC=C3)O
InChI
InChI=1S/C13H17NO/c15-12-5-1-3-10(7-12)13-6-2-4-11(8-13)14-9-13/h1,3,5,7,11,14-15H,2,4,6,8-9H2
InChIKey
DREINLSVLGLBIY-UHFFFAOYSA-N
Compound name
3-(6-azabicyclo[3.2.1]octan-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

203.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 147.4
[M+Na]+ 226.12023 158.4
[M+NH4]+ 221.16483 158.4
[M+K]+ 242.09417 151.1
[M-H]- 202.12373 149.7
[M+Na-2H]- 224.10568 153.3
[M]+ 203.13046 149.6
[M]- 203.13156 149.6
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