CID 60526

2-(4-oxybenzyl)-3-oxoquinuclidine hydrochloride

Structural Information

Molecular Formula
C14H17NO2
SMILES
C1CN2CCC1C(=O)C2CC3=CC=C(C=C3)O
InChI
InChI=1S/C14H17NO2/c16-12-3-1-10(2-4-12)9-13-14(17)11-5-7-15(13)8-6-11/h1-4,11,13,16H,5-9H2
InChIKey
UPKVQRDEINJYEY-UHFFFAOYSA-N
Compound name
2-[(4-hydroxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 150.3
[M+Na]+ 254.11515 155.0
[M-H]- 230.11865 147.6
[M+NH4]+ 249.15975 170.6
[M+K]+ 270.08909 151.1
[M+H-H2O]+ 214.12319 143.8
[M+HCOO]- 276.12413 160.0
[M+CH3COO]- 290.13978 159.8
[M+Na-2H]- 252.10060 159.8
[M]+ 231.12538 150.3
[M]- 231.12648 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.