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]+ 215.045116 145.5
[M+Na]+ 237.027058 156.5
[M-H]- 213.030564 149.3
[M+NH4]+ 232.071663 160.4
[M+K]+ 253.000998 153.4
[M+H-H2O]+ 197.035100 131.5
[M+HCOO]- 259.036041 164.0
[M+CH3COO]- 273.051691 194.7
[M+Na-2H]- 235.012506 149.7
[M]+ 214.03729142 141.7
[M]- 214.03838858 141.7
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.