CID 3065007

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

Structural Information

Molecular Formula
C15H21NO2
SMILES
COC1=CC(=C(C=C1)O)CC2CC3CCN2CC3
InChI
InChI=1S/C15H21NO2/c1-18-14-2-3-15(17)12(10-14)9-13-8-11-4-6-16(13)7-5-11/h2-3,10-11,13,17H,4-9H2,1H3
InChIKey
YSCJGUDJIGWSHX-UHFFFAOYSA-N
Compound name
2-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 156.3
[M+Na]+ 270.14645 160.2
[M-H]- 246.14995 153.4
[M+NH4]+ 265.19105 176.1
[M+K]+ 286.12039 156.7
[M+H-H2O]+ 230.15449 149.5
[M+HCOO]- 292.15543 165.4
[M+CH3COO]- 306.17108 165.3
[M+Na-2H]- 268.13190 165.2
[M]+ 247.15668 157.3
[M]- 247.15778 157.3
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.