CID 16641467

763109-37-1

Structural Information

Molecular Formula
C12H11NO4
SMILES
C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)CO
InChI
InChI=1S/C12H11NO4/c14-7-9-6-11(17-13-9)8-1-2-10-12(5-8)16-4-3-15-10/h1-2,5-6,14H,3-4,7H2
InChIKey
QNKJCCWGHUHDOS-UHFFFAOYSA-N
Compound name
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

233.0688 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 148.2
[M+Na]+ 256.05802 162.0
[M+NH4]+ 251.10262 156.3
[M+K]+ 272.03196 158.9
[M-H]- 232.06152 155.0
[M+Na-2H]- 254.04347 153.3
[M]+ 233.06825 152.1
[M]- 233.06935 152.1
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.