CID 3056183

1,3,4-oxadiazol-2(3h)-one, 5-(1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-

Structural Information

Molecular Formula
C10H8N2O5
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)O3)CO
InChI
InChI=1S/C10H8N2O5/c13-4-12-10(14)17-9(11-12)6-1-2-7-8(3-6)16-5-15-7/h1-3,13H,4-5H2
InChIKey
DUSRFJCKDXEXDD-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.04332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05060 144.6
[M+Na]+ 259.03254 155.6
[M-H]- 235.03604 151.5
[M+NH4]+ 254.07714 159.7
[M+K]+ 275.00648 156.4
[M+H-H2O]+ 219.04058 139.0
[M+HCOO]- 281.04152 164.4
[M+CH3COO]- 295.05717 158.7
[M+Na-2H]- 257.01799 150.5
[M]+ 236.04277 150.0
[M]- 236.04387 150.0
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.