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 146.9
[M+Na]+ 226.12023 152.8
[M-H]- 202.12373 148.4
[M+NH4]+ 221.16483 168.4
[M+K]+ 242.09417 147.9
[M+H-H2O]+ 186.12827 140.5
[M+HCOO]- 248.12921 162.2
[M+CH3COO]- 262.14486 157.9
[M+Na-2H]- 224.10568 152.1
[M]+ 203.13046 140.4
[M]- 203.13156 140.4
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