CID 10955452

2-phenyl-1,3-oxazole-4,5-dicarboxylic acid

Structural Information

Molecular Formula
C11H7NO5
SMILES
C1=CC=C(C=C1)C2=NC(=C(O2)C(=O)O)C(=O)O
InChI
InChI=1S/C11H7NO5/c13-10(14)7-8(11(15)16)17-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKey
YRGAADYUKSMBJS-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-oxazole-4,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

233.03242 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.039696 145.9
[M+Na]+ 256.021638 154.3
[M-H]- 232.025144 150.3
[M+NH4]+ 251.066243 161.1
[M+K]+ 271.995578 153.1
[M+H-H2O]+ 216.029680 139.3
[M+HCOO]- 278.030621 166.3
[M+CH3COO]- 292.046271 183.6
[M+Na-2H]- 254.007086 149.4
[M]+ 233.03187142 147.5
[M]- 233.03296858 147.5
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