CID 389098

Nsc684783

Structural Information

Molecular Formula
C11H7N3O3
SMILES
C1=CC=C(C(=C1)C2=NC(=C(O2)N)C#N)C(=O)O
InChI
InChI=1S/C11H7N3O3/c12-5-8-9(13)17-10(14-8)6-3-1-2-4-7(6)11(15)16/h1-4H,13H2,(H,15,16)
InChIKey
KURNYXGBEWVEEB-UHFFFAOYSA-N
Compound name
2-(5-amino-4-cyano-1,3-oxazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.04874 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05602 151.5
[M+Na]+ 252.03796 162.2
[M-H]- 228.04146 155.1
[M+NH4]+ 247.08256 165.4
[M+K]+ 268.01190 159.1
[M+H-H2O]+ 212.04600 137.2
[M+HCOO]- 274.04694 170.1
[M+CH3COO]- 288.06259 200.0
[M+Na-2H]- 250.02341 154.2
[M]+ 229.04819 146.3
[M]- 229.04929 146.3
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.