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]+ 230.153946 153.9
[M+Na]+ 252.135888 159.5
[M-H]- 228.139394 151.4
[M+NH4]+ 247.180493 176.5
[M+K]+ 268.109828 154.6
[M+H-H2O]+ 212.143930 147.0
[M+HCOO]- 274.144871 163.0
[M+CH3COO]- 288.160521 163.5
[M+Na-2H]- 250.121336 163.3
[M]+ 229.14612142 153.0
[M]- 229.14721858 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

literature stripe

Patent stripe

No patent data available for this compound.