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

1152
Patents

113.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 118.3
[M+Na]+ 136.073278 122.6
[M-H]- 112.076784 113.1
[M+NH4]+ 131.117883 142.0
[M+K]+ 152.047218 122.2
[M+H-H2O]+ 96.081320 113.7
[M+HCOO]- 158.082261 128.2
[M+CH3COO]- 172.097911 129.6
[M+Na-2H]- 134.058726 132.3
[M]+ 113.08351142 116.9
[M]- 113.08460858 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