CID 55280241

3-oxa-7-azabicyclo[4.2.0]octane hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1COCC2C1NC2
InChI
InChI=1S/C6H11NO/c1-2-8-4-5-3-7-6(1)5/h5-7H,1-4H2
InChIKey
OWCAMBJMYHYNSA-UHFFFAOYSA-N
Compound name
3-oxa-7-azabicyclo[4.2.0]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

113.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 115.5
[M+Na]+ 136.073278 120.4
[M-H]- 112.076784 117.2
[M+NH4]+ 131.117883 129.4
[M+K]+ 152.047218 123.3
[M+H-H2O]+ 96.081320 105.2
[M+HCOO]- 158.082261 131.6
[M+CH3COO]- 172.097911 168.8
[M+Na-2H]- 134.058726 124.5
[M]+ 113.08351142 119.4
[M]- 113.08460858 119.4
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

patents stripe