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]+ 232.16959 150.3
[M+Na]+ 254.15153 162.7
[M+NH4]+ 249.19613 161.5
[M+K]+ 270.12547 154.3
[M-H]- 230.15503 151.0
[M+Na-2H]- 252.13698 150.8
[M]+ 231.16176 152.3
[M]- 231.16286 152.3
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.