CID 22831703

887408-16-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

219.05316 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 143.5
[M+Na]+ 242.04238 152.6
[M-H]- 218.04588 149.2
[M+NH4]+ 237.08698 160.3
[M+K]+ 258.01632 151.7
[M+H-H2O]+ 202.05042 136.7
[M+HCOO]- 264.05136 166.1
[M+CH3COO]- 278.06701 183.6
[M+Na-2H]- 240.02783 148.5
[M]+ 219.05261 146.8
[M]- 219.05371 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