CID 20356895

2-azabicyclo[2.2.2]octan-6-ol

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC2C(CC1CN2)O
InChI
InChI=1S/C7H13NO/c9-7-3-5-1-2-6(7)8-4-5/h5-9H,1-4H2
InChIKey
WTHAVLKCRJPDGR-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.2.2]octan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 125.7
[M+Na]+ 150.088938 130.1
[M-H]- 126.092444 118.7
[M+NH4]+ 145.133543 149.7
[M+K]+ 166.062878 127.5
[M+H-H2O]+ 110.096980 121.8
[M+HCOO]- 172.097921 134.6
[M+CH3COO]- 186.113571 136.1
[M+Na-2H]- 148.074386 137.4
[M]+ 127.09917142 122.8
[M]- 127.10026858 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