CID 97007620

2408936-87-6

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 111.0
[M+Na]+ 122.05763 117.0
[M-H]- 98.061134 113.2
[M+NH4]+ 117.10223 127.2
[M+K]+ 138.03157 120.0
[M+H-H2O]+ 82.065670 101.6
[M+HCOO]- 144.06661 129.5
[M+CH3COO]- 158.08226 165.7
[M+Na-2H]- 120.04308 119.0
[M]+ 99.067861 116.6
[M]- 99.068959 116.6
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.