CID 137963750

(3as,6as)-hexahydrofuro[3,4-d]isoxazole

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1[C@H]2COC[C@H]2ON1
InChI
InChI=1S/C5H9NO2/c1-4-2-7-3-5(4)8-6-1/h4-6H,1-3H2/t4-,5+/m0/s1
InChIKey
HNKZFZHXYVWMME-CRCLSJGQSA-N
Compound name
(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-d][1,2]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.06333 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 120.7
[M+Na]+ 138.05255 129.7
[M+NH4]+ 133.09715 129.5
[M+K]+ 154.02649 129.5
[M-H]- 114.05605 123.2
[M+Na-2H]- 136.03800 122.6
[M]+ 115.06278 122.4
[M]- 115.06388 122.4
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

No patent data available for this compound.