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 145.5
[M+Na]+ 237.02706 156.5
[M-H]- 213.03056 149.3
[M+NH4]+ 232.07166 160.4
[M+K]+ 253.00100 153.4
[M+H-H2O]+ 197.03510 131.5
[M+HCOO]- 259.03604 164.0
[M+CH3COO]- 273.05169 194.7
[M+Na-2H]- 235.01251 149.7
[M]+ 214.03729 141.7
[M]- 214.03839 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.