CID 15381

3-quinuclidinol

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CN2CCC1C(C2)O
InChI
InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2
InChIKey
IVLICPVPXWEGCA-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

26
References

6314
Patents

127.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 125.1
[M+Na]+ 150.08894 129.8
[M-H]- 126.09244 119.4
[M+NH4]+ 145.13354 149.8
[M+K]+ 166.06288 128.1
[M+H-H2O]+ 110.09698 120.8
[M+HCOO]- 172.09792 135.5
[M+CH3COO]- 186.11357 136.1
[M+Na-2H]- 148.07439 137.1
[M]+ 127.09917 123.9
[M]- 127.10027 123.9
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