CID 15153249

5-oxazoleacetic acid, methyl ester

Structural Information

Molecular Formula
C6H7NO3
SMILES
COC(=O)CC1=CN=CO1
InChI
InChI=1S/C6H7NO3/c1-9-6(8)2-5-3-7-4-10-5/h3-4H,2H2,1H3
InChIKey
QWPYQWDTANDQNS-UHFFFAOYSA-N
Compound name
methyl 2-(1,3-oxazol-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

141.04259 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 124.9
[M+Na]+ 164.031808 133.5
[M-H]- 140.035314 128.1
[M+NH4]+ 159.076413 145.5
[M+K]+ 180.005748 134.9
[M+H-H2O]+ 124.039850 119.0
[M+HCOO]- 186.040791 148.8
[M+CH3COO]- 200.056441 170.3
[M+Na-2H]- 162.017256 132.0
[M]+ 141.04204142 128.4
[M]- 141.04313858 128.4
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