CID 129601365

2-oxa-5-azabicyclo[4.1.1]octane hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1COC2CC(C2)N1
InChI
InChI=1S/C6H11NO/c1-2-8-6-3-5(4-6)7-1/h5-7H,1-4H2
InChIKey
KORRWDHEPGILAU-UHFFFAOYSA-N
Compound name
2-oxa-5-azabicyclo[4.1.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 135.5
[M+Na]+ 136.07328 142.9
[M-H]- 112.07678 137.1
[M+NH4]+ 131.11788 151.0
[M+K]+ 152.04722 142.5
[M+H-H2O]+ 96.081320 133.6
[M+HCOO]- 158.08226 146.7
[M+CH3COO]- 172.09791 145.9
[M+Na-2H]- 134.05873 146.3
[M]+ 113.08351 140.4
[M]- 113.08461 140.4
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

No patent data available for this compound.