CID 25220791

908248-87-3

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC1=NOC(C1)(C)C(=O)O
InChI
InChI=1S/C6H9NO3/c1-4-3-6(2,5(8)9)10-7-4/h3H2,1-2H3,(H,8,9)
InChIKey
SKHXMZPMVWJQQE-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4H-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

143.05824 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 127.3
[M+Na]+ 166.04746 137.3
[M+NH4]+ 161.09206 135.7
[M+K]+ 182.02140 134.1
[M-H]- 142.05096 127.6
[M+Na-2H]- 164.03291 132.0
[M]+ 143.05769 128.7
[M]- 143.05879 128.7
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