CID 113784

2-quinuclidinemethanol, hydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CN2CCC1CC2CO
InChI
InChI=1S/C8H15NO/c10-6-8-5-7-1-3-9(8)4-2-7/h7-8,10H,1-6H2
InChIKey
YUZMBZAYRWUWCN-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 129.8
[M+Na]+ 164.104588 134.0
[M-H]- 140.108094 123.9
[M+NH4]+ 159.149193 153.9
[M+K]+ 180.078528 132.1
[M+H-H2O]+ 124.112630 125.3
[M+HCOO]- 186.113571 139.8
[M+CH3COO]- 200.129221 140.3
[M+Na-2H]- 162.090036 141.3
[M]+ 141.11482142 128.9
[M]- 141.11591858 128.9
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

patents stripe