CID 3045426

5-nonanol, 3-quinuclidyl-, hydrochloride

Structural Information

Molecular Formula
C16H31NO
SMILES
CCCCC(CCCC)(C1CN2CCC1CC2)O
InChI
InChI=1S/C16H31NO/c1-3-5-9-16(18,10-6-4-2)15-13-17-11-7-14(15)8-12-17/h14-15,18H,3-13H2,1-2H3
InChIKey
QUBMABVRNDNGOR-UHFFFAOYSA-N
Compound name
5-(1-azabicyclo[2.2.2]octan-3-yl)nonan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.24057 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.24785 170.6
[M+Na]+ 276.22979 171.6
[M-H]- 252.23329 163.2
[M+NH4]+ 271.27439 190.2
[M+K]+ 292.20373 168.2
[M+H-H2O]+ 236.23783 165.2
[M+HCOO]- 298.23877 176.0
[M+CH3COO]- 312.25442 200.8
[M+Na-2H]- 274.21524 178.1
[M]+ 253.24002 171.7
[M]- 253.24112 171.7
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.