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]+ 224.20090 151.1
[M+Na]+ 246.18284 150.4
[M-H]- 222.18634 146.4
[M+NH4]+ 241.22744 170.9
[M+K]+ 262.15678 147.3
[M+H-H2O]+ 206.19088 144.3
[M+HCOO]- 268.19182 155.1
[M+CH3COO]- 282.20747 158.2
[M+Na-2H]- 244.16829 157.5
[M]+ 223.19307 144.5
[M]- 223.19417 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.