CID 23361715

3,4-dimethylisoxazole-5-carboxylic acid

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC1=C(ON=C1C)C(=O)O
InChI
InChI=1S/C6H7NO3/c1-3-4(2)7-10-5(3)6(8)9/h1-2H3,(H,8,9)
InChIKey
AYRXTAVFKKHROS-UHFFFAOYSA-N
Compound name
3,4-dimethyl-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

141.04259 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 125.9
[M+Na]+ 164.03181 137.1
[M+NH4]+ 159.07641 132.9
[M+K]+ 180.00575 135.6
[M-H]- 140.03531 126.5
[M+Na-2H]- 162.01726 129.7
[M]+ 141.04204 127.4
[M]- 141.04314 127.4
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