CID 3025502

2-(3,4-dihydroxybenzyl)quinuclidine hydrochloride

Structural Information

Molecular Formula
C14H19NO2
SMILES
C1CN2CCC1CC2CC3=CC(=C(C=C3)O)O
InChI
InChI=1S/C14H19NO2/c16-13-2-1-11(9-14(13)17)8-12-7-10-3-5-15(12)6-4-10/h1-2,9-10,12,16-17H,3-8H2
InChIKey
QBJJRDVOLFIZEN-UHFFFAOYSA-N
Compound name
4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 151.9
[M+Na]+ 256.130808 156.0
[M-H]- 232.134314 147.9
[M+NH4]+ 251.175413 171.7
[M+K]+ 272.104748 151.9
[M+H-H2O]+ 216.138850 145.8
[M+HCOO]- 278.139791 159.9
[M+CH3COO]- 292.155441 160.8
[M+Na-2H]- 254.116256 161.1
[M]+ 233.14104142 151.0
[M]- 233.14213858 151.0
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.