CID 3046823

3-quinuclidinemethanol, alpha-cyclohexyl-, hydrochloride

Structural Information

Molecular Formula
C14H25NO
SMILES
C1CCC(CC1)C(C2CN3CCC2CC3)O
InChI
InChI=1S/C14H25NO/c16-14(12-4-2-1-3-5-12)13-10-15-8-6-11(13)7-9-15/h11-14,16H,1-10H2
InChIKey
JBRAZAUFTWSQNI-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl(cyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.19362 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.200896 151.1
[M+Na]+ 246.182838 150.4
[M-H]- 222.186344 146.4
[M+NH4]+ 241.227443 170.9
[M+K]+ 262.156778 147.3
[M+H-H2O]+ 206.190880 144.3
[M+HCOO]- 268.191821 155.1
[M+CH3COO]- 282.207471 158.2
[M+Na-2H]- 244.168286 157.5
[M]+ 223.19307142 144.5
[M]- 223.19416858 144.5
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.