CID 15880724

4-methylisoxazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H5NO3
SMILES
CC1=C(ON=C1)C(=O)O
InChI
InChI=1S/C5H5NO3/c1-3-2-6-9-4(3)5(7)8/h2H,1H3,(H,7,8)
InChIKey
RITPLLYUVXGBFT-UHFFFAOYSA-N
Compound name
4-methyl-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
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 121.8
[M+Na]+ 150.01616 132.7
[M+NH4]+ 145.06076 128.9
[M+K]+ 165.99010 131.3
[M-H]- 126.01966 122.3
[M+Na-2H]- 148.00161 126.0
[M]+ 127.02639 123.2
[M]- 127.02749 123.2
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