CID 1132979

Dimethyl-1,3-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC1=C(OC(=N1)C)C(=O)O
InChI
InChI=1S/C6H7NO3/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)
InChIKey
JLSFKHJNJFXGAB-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

359
Patents

141.04259 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 124.4
[M+Na]+ 164.031808 134.4
[M-H]- 140.035314 126.9
[M+NH4]+ 159.076413 144.9
[M+K]+ 180.005748 134.7
[M+H-H2O]+ 124.039850 119.3
[M+HCOO]- 186.040791 146.8
[M+CH3COO]- 200.056441 170.6
[M+Na-2H]- 162.017256 129.7
[M]+ 141.04204142 126.9
[M]- 141.04313858 126.9
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