CID 11355484

103879-58-9

Structural Information

Molecular Formula
C5H5NO3
SMILES
CC1=C(N=CO1)C(=O)O
InChI
InChI=1S/C5H5NO3/c1-3-4(5(7)8)6-2-9-3/h2H,1H3,(H,7,8)
InChIKey
QIACATCUODRSLS-UHFFFAOYSA-N
Compound name
5-methyl-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

127.02694 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.03422 120.2
[M+Na]+ 150.01616 129.7
[M-H]- 126.01966 122.6
[M+NH4]+ 145.06076 141.0
[M+K]+ 165.99010 130.3
[M+H-H2O]+ 110.02420 115.0
[M+HCOO]- 172.02514 143.0
[M+CH3COO]- 186.04079 166.4
[M+Na-2H]- 148.00161 126.8
[M]+ 127.02639 122.0
[M]- 127.02749 122.0
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

patents stripe