CID 131426971

Methyl 4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylate

Structural Information

Molecular Formula
C11H9NO4
SMILES
COC(=O)C1=NC(=CO1)C2=CC=CC=C2O
InChI
InChI=1S/C11H9NO4/c1-15-11(14)10-12-8(6-16-10)7-4-2-3-5-9(7)13/h2-6,13H,1H3
InChIKey
DJOBIZPBWDWECD-UHFFFAOYSA-N
Compound name
methyl 4-(2-hydroxyphenyl)-1,3-oxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.05316 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.060436 143.8
[M+Na]+ 242.042378 153.0
[M-H]- 218.045884 149.5
[M+NH4]+ 237.086983 160.7
[M+K]+ 258.016318 152.0
[M+H-H2O]+ 202.050420 137.0
[M+HCOO]- 264.051361 166.4
[M+CH3COO]- 278.067011 182.9
[M+Na-2H]- 240.027826 148.8
[M]+ 219.05261142 147.0
[M]- 219.05370858 147.0
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.