CID 137963750

Rac-(3ar,6ar)-hexahydrofuro[3,4-d][1,2]oxazole

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]+ 116.070606 120.1
[M+Na]+ 138.052548 127.0
[M-H]- 114.056054 122.6
[M+NH4]+ 133.097153 142.3
[M+K]+ 154.026488 128.3
[M+H-H2O]+ 98.060590 115.6
[M+HCOO]- 160.061531 138.7
[M+CH3COO]- 174.077181 134.0
[M+Na-2H]- 136.037996 126.6
[M]+ 115.06278142 117.3
[M]- 115.06387858 117.3
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.