CID 105436715

4-(2-hydroxyphenyl)-1,3-oxazol-2-ol

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1=CC=C(C(=C1)C2=COC(=O)N2)O
InChI
InChI=1S/C9H7NO3/c11-8-4-2-1-3-6(8)7-5-13-9(12)10-7/h1-5,11H,(H,10,12)
InChIKey
KZNWNUDSLZVELQ-UHFFFAOYSA-N
Compound name
4-(2-hydroxyphenyl)-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04259 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 132.1
[M+Na]+ 200.031808 142.1
[M-H]- 176.035314 136.5
[M+NH4]+ 195.076413 150.1
[M+K]+ 216.005748 139.6
[M+H-H2O]+ 160.039850 126.0
[M+HCOO]- 222.040791 154.6
[M+CH3COO]- 236.056441 172.1
[M+Na-2H]- 198.017256 138.8
[M]+ 177.04204142 132.0
[M]- 177.04313858 132.0
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.