CID 2779782

89205-07-2

Structural Information

Molecular Formula
C11H9NO4
SMILES
COC1=CC=C(C=C1)C2=C(N=CO2)C(=O)O
InChI
InChI=1S/C11H9NO4/c1-15-8-4-2-7(3-5-8)10-9(11(13)14)12-6-16-10/h2-6H,1H3,(H,13,14)
InChIKey
XVXCIDWYZMBWJU-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
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 143.5
[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

No literature data available for this compound.

Patent stripe

patents stripe