CID 3065003

2-(1-azabicyclo(2.2.2)oct-2-ylmethyl)phenol hydrochloride

Structural Information

Molecular Formula
C14H19NO
SMILES
C1CN2CCC1CC2CC3=CC=CC=C3O
InChI
InChI=1S/C14H19NO/c16-14-4-2-1-3-12(14)10-13-9-11-5-7-15(13)8-6-11/h1-4,11,13,16H,5-10H2
InChIKey
CVCODKVTTJOZPO-UHFFFAOYSA-N
Compound name
2-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 147.7
[M+Na]+ 240.135888 151.4
[M-H]- 216.139394 144.7
[M+NH4]+ 235.180493 168.5
[M+K]+ 256.109828 147.4
[M+H-H2O]+ 200.143930 141.0
[M+HCOO]- 262.144871 157.1
[M+CH3COO]- 276.160521 157.0
[M+Na-2H]- 238.121336 157.7
[M]+ 217.14612142 146.5
[M]- 217.14721858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.