CID 1090978

5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C11H9NO4
SMILES
COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C11H9NO4/c1-15-8-4-2-7(3-5-8)10-6-9(11(13)14)12-16-10/h2-6H,1H3,(H,13,14)
InChIKey
YIQABFVYNGOELP-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

66
Patents

219.05316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.060436 143.5
[M+Na]+ 242.042378 152.6
[M-H]- 218.045884 149.2
[M+NH4]+ 237.086983 160.3
[M+K]+ 258.016318 151.7
[M+H-H2O]+ 202.050420 136.7
[M+HCOO]- 264.051361 166.1
[M+CH3COO]- 278.067011 183.6
[M+Na-2H]- 240.027826 148.5
[M]+ 219.05261142 146.8
[M]- 219.05370858 146.8
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

patents stripe