CID 3067899

2-methylene-3-(p-tolyl)-3-quinuclidinol hydrochloride

Structural Information

Molecular Formula
C15H19NO
SMILES
CC1=CC=C(C=C1)C2(C3CCN(C2=C)CC3)O
InChI
InChI=1S/C15H19NO/c1-11-3-5-13(6-4-11)15(17)12(2)16-9-7-14(15)8-10-16/h3-6,14,17H,2,7-10H2,1H3
InChIKey
LAKWJOKCQGLUKQ-UHFFFAOYSA-N
Compound name
2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

229.14667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 151.7
[M+Na]+ 252.13589 164.2
[M+NH4]+ 247.18049 164.0
[M+K]+ 268.10983 153.9
[M-H]- 228.13939 152.1
[M+Na-2H]- 250.12134 153.3
[M]+ 229.14612 153.8
[M]- 229.14722 153.8
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.