CID 3613517

3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol

Structural Information

Molecular Formula
C9H13NO
SMILES
C#CC1(CN2CCC1CC2)O
InChI
InChI=1S/C9H13NO/c1-2-9(11)7-10-5-3-8(9)4-6-10/h1,8,11H,3-7H2
InChIKey
YRTHQTAVIFQEEG-UHFFFAOYSA-N
Compound name
3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

96
Patents

151.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 135.8
[M+Na]+ 174.08894 145.2
[M-H]- 150.09244 130.7
[M+NH4]+ 169.13354 159.1
[M+K]+ 190.06288 136.6
[M+H-H2O]+ 134.09698 126.3
[M+HCOO]- 196.09792 141.7
[M+CH3COO]- 210.11357 145.4
[M+Na-2H]- 172.07439 146.2
[M]+ 151.09917 130.2
[M]- 151.10027 130.2
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