CID 327717

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

Structural Information

Molecular Formula
C5H5NO4
SMILES
COC1=NOC(=C1)C(=O)O
InChI
InChI=1S/C5H5NO4/c1-9-4-2-3(5(7)8)10-6-4/h2H,1H3,(H,7,8)
InChIKey
WMMGHBYADJNEOC-UHFFFAOYSA-N
Compound name
3-methoxy-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

379
Patents

143.02185 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02913 122.8
[M+Na]+ 166.01107 132.2
[M-H]- 142.01457 125.1
[M+NH4]+ 161.05567 142.8
[M+K]+ 181.98501 133.3
[M+H-H2O]+ 126.01911 117.4
[M+HCOO]- 188.02005 145.8
[M+CH3COO]- 202.03570 168.5
[M+Na-2H]- 163.99652 129.4
[M]+ 143.02130 126.0
[M]- 143.02240 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe