CID 15691707

3-oxa-7-azabicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C5H9NO
SMILES
C1COCC2C1N2
InChI
InChI=1S/C5H9NO/c1-2-7-3-5-4(1)6-5/h4-6H,1-3H2
InChIKey
DIUNZTQKLKGEBB-UHFFFAOYSA-N
Compound name
3-oxa-7-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

99.06841 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 121.2
[M+Na]+ 122.05763 130.1
[M-H]- 98.061134 124.3
[M+NH4]+ 117.10223 137.3
[M+K]+ 138.03157 129.1
[M+H-H2O]+ 82.065670 114.9
[M+HCOO]- 144.06661 139.3
[M+CH3COO]- 158.08226 134.3
[M+Na-2H]- 120.04308 130.6
[M]+ 99.067861 120.0
[M]- 99.068959 120.0
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