CID 54594726

6-oxa-3-azabicyclo[3.2.1]octane hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2CNCC1OC2
InChI
InChI=1S/C6H11NO/c1-5-2-7-3-6(1)8-4-5/h5-7H,1-4H2
InChIKey
QJIFFAMGOQBKPK-UHFFFAOYSA-N
Compound name
6-oxa-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

113.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 120.9
[M+Na]+ 136.07328 126.9
[M-H]- 112.07678 121.0
[M+NH4]+ 131.11788 143.5
[M+K]+ 152.04722 126.4
[M+H-H2O]+ 96.081320 115.8
[M+HCOO]- 158.08226 137.6
[M+CH3COO]- 172.09791 133.8
[M+Na-2H]- 134.05873 128.7
[M]+ 113.08351 116.2
[M]- 113.08461 116.2
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