CID 3065005

2-(2-oxy-5-methylbenzyl)quinuclidine hydrochloride

Structural Information

Molecular Formula
C15H21NO
SMILES
CC1=CC(=C(C=C1)O)CC2CC3CCN2CC3
InChI
InChI=1S/C15H21NO/c1-11-2-3-15(17)13(8-11)10-14-9-12-4-6-16(14)7-5-12/h2-3,8,12,14,17H,4-7,9-10H2,1H3
InChIKey
NFSIKCMIMSMETC-UHFFFAOYSA-N
Compound name
2-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 153.5
[M+Na]+ 254.151528 157.7
[M-H]- 230.155034 150.7
[M+NH4]+ 249.196133 174.1
[M+K]+ 270.125468 153.4
[M+H-H2O]+ 214.159570 146.9
[M+HCOO]- 276.160511 162.5
[M+CH3COO]- 290.176161 162.7
[M+Na-2H]- 252.136976 162.2
[M]+ 231.16176142 153.0
[M]- 231.16285858 153.0
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

No patent data available for this compound.