CID 107936461

1695964-04-5

Structural Information

Molecular Formula
C11H6N2O3
SMILES
C1=CC=C(C(=C1)C#N)C2=NOC(=C2)C(=O)O
InChI
InChI=1S/C11H6N2O3/c12-6-7-3-1-2-4-8(7)9-5-10(11(14)15)16-13-9/h1-5H,(H,14,15)
InChIKey
SOQCSFOJRNPTSC-UHFFFAOYSA-N
Compound name
3-(2-cyanophenyl)-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.03784 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04512 146.1
[M+Na]+ 237.02706 158.3
[M+NH4]+ 232.07166 149.7
[M+K]+ 253.00100 152.0
[M-H]- 213.03056 141.6
[M+Na-2H]- 235.01251 149.8
[M]+ 214.03729 145.6
[M]- 214.03839 145.6
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.