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]+ 234.14887 151.9
[M+Na]+ 256.13081 156.0
[M-H]- 232.13431 147.9
[M+NH4]+ 251.17541 171.7
[M+K]+ 272.10475 151.9
[M+H-H2O]+ 216.13885 145.8
[M+HCOO]- 278.13979 159.9
[M+CH3COO]- 292.15544 160.8
[M+Na-2H]- 254.11626 161.1
[M]+ 233.14104 151.0
[M]- 233.14214 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.