CID 20356910

2-azabicyclo[2.2.2]octan-5-ol hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC2CNC1CC2O
InChI
InChI=1S/C7H13NO/c9-7-3-6-2-1-5(7)4-8-6/h5-9H,1-4H2
InChIKey
ZTHBOFLPBKHZSP-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.2.2]octan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 125.7
[M+Na]+ 150.08894 130.1
[M-H]- 126.09244 118.7
[M+NH4]+ 145.13354 149.7
[M+K]+ 166.06288 127.5
[M+H-H2O]+ 110.09698 121.8
[M+HCOO]- 172.09792 134.6
[M+CH3COO]- 186.11357 136.1
[M+Na-2H]- 148.07439 137.4
[M]+ 127.09917 122.8
[M]- 127.10027 122.8
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

patents stripe