CID 83481179

5-(methoxycarbonyl)-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C6H5NO5
SMILES
COC(=O)C1=CC(=NO1)C(=O)O
InChI
InChI=1S/C6H5NO5/c1-11-6(10)4-2-3(5(8)9)7-12-4/h2H,1H3,(H,8,9)
InChIKey
KBAOVIWEXKKXHA-UHFFFAOYSA-N
Compound name
5-methoxycarbonyl-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.01677 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.02405 129.3
[M+Na]+ 194.00599 138.3
[M-H]- 170.00949 131.7
[M+NH4]+ 189.05059 148.0
[M+K]+ 209.97993 139.5
[M+H-H2O]+ 154.01403 123.7
[M+HCOO]- 216.01497 151.4
[M+CH3COO]- 230.03062 173.2
[M+Na-2H]- 191.99144 134.3
[M]+ 171.01622 132.9
[M]- 171.01732 132.9
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.