CID 82418504

5-cyano-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C5H2N2O3
SMILES
C1=C(ON=C1C(=O)O)C#N
InChI
InChI=1S/C5H2N2O3/c6-2-3-1-4(5(8)9)7-10-3/h1H,(H,8,9)
InChIKey
UHAULYQZAGMLBN-UHFFFAOYSA-N
Compound name
5-cyano-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.00655 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.01383 122.2
[M+Na]+ 160.99577 133.1
[M-H]- 136.99927 123.7
[M+NH4]+ 156.04037 140.0
[M+K]+ 176.96971 132.9
[M+H-H2O]+ 121.00381 109.5
[M+HCOO]- 183.00475 141.2
[M+CH3COO]- 197.02040 181.3
[M+Na-2H]- 158.98122 128.3
[M]+ 138.00600 118.5
[M]- 138.00710 118.5
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.