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]+ 178.04987 132.1
[M+Na]+ 200.03181 142.1
[M-H]- 176.03531 136.5
[M+NH4]+ 195.07641 150.1
[M+K]+ 216.00575 139.6
[M+H-H2O]+ 160.03985 126.0
[M+HCOO]- 222.04079 154.6
[M+CH3COO]- 236.05644 172.1
[M+Na-2H]- 198.01726 138.8
[M]+ 177.04204 132.0
[M]- 177.04314 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.