CID 22225007

2-oxa-5-azabicyclo[2.2.2]octane hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CC2COC1CN2
InChI
InChI=1S/C6H11NO/c1-2-6-3-7-5(1)4-8-6/h5-7H,1-4H2
InChIKey
JNYWVERKQKRXSL-UHFFFAOYSA-N
Compound name
2-oxa-5-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1200
Patents

113.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 118.3
[M+Na]+ 136.07328 122.6
[M-H]- 112.07678 113.1
[M+NH4]+ 131.11788 142.0
[M+K]+ 152.04722 122.2
[M+H-H2O]+ 96.081320 113.7
[M+HCOO]- 158.08226 128.2
[M+CH3COO]- 172.09791 129.6
[M+Na-2H]- 134.05873 132.3
[M]+ 113.08351 116.9
[M]- 113.08461 116.9
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