CID 97007620

2744549-61-7

Structural Information

Molecular Formula
C5H9NO
SMILES
C1[C@H]2COC[C@H]2N1
InChI
InChI=1S/C5H9NO/c1-4-2-7-3-5(4)6-1/h4-6H,1-3H2/t4-,5+/m0/s1
InChIKey
NWPXQVBUHZHSDK-CRCLSJGQSA-N
Compound name
(1R,5S)-3-oxa-6-azabicyclo[3.2.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

99.06841 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 114.8
[M+Na]+ 122.05763 120.3
[M+NH4]+ 117.10223 120.1
[M+K]+ 138.03157 119.4
[M-H]- 98.061134 113.7
[M+Na-2H]- 120.04308 115.9
[M]+ 99.067861 113.8
[M]- 99.068959 113.8
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.