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]+ 204.138286 146.9
[M+Na]+ 226.120228 152.8
[M-H]- 202.123734 148.4
[M+NH4]+ 221.164833 168.4
[M+K]+ 242.094168 147.9
[M+H-H2O]+ 186.128270 140.5
[M+HCOO]- 248.129211 162.2
[M+CH3COO]- 262.144861 157.9
[M+Na-2H]- 224.105676 152.1
[M]+ 203.13046142 140.4
[M]- 203.13155858 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