CID 480944

Chembl328010

Structural Information

Molecular Formula
C10H17NO6
SMILES
CCOC(C1=NO[C@@H]2[C@H]1OC([C@H]2O)O)OCC
InChI
InChI=1S/C10H17NO6/c1-3-14-10(15-4-2)5-7-8(17-11-5)6(12)9(13)16-7/h6-10,12-13H,3-4H2,1-2H3/t6-,7-,8-,9?/m0/s1
InChIKey
JQLILWSWNBIOIP-VQKVPJPESA-N
Compound name
(3aS,6S,6aS)-3-(diethoxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,2]oxazole-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.10559 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11287 152.5
[M+Na]+ 270.09481 159.6
[M-H]- 246.09831 154.4
[M+NH4]+ 265.13941 169.2
[M+K]+ 286.06875 161.1
[M+H-H2O]+ 230.10285 148.0
[M+HCOO]- 292.10379 169.0
[M+CH3COO]- 306.11944 187.8
[M+Na-2H]- 268.08026 154.5
[M]+ 247.10504 157.4
[M]- 247.10614 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.