CID 12627321

41172-57-0

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC1=C(N=CO1)C(=O)OC
InChI
InChI=1S/C6H7NO3/c1-4-5(6(8)9-2)7-3-10-4/h3H,1-2H3
InChIKey
UMYOVEXLUCPUAU-UHFFFAOYSA-N
Compound name
methyl 5-methyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

141.04259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 124.2
[M+Na]+ 164.031808 133.8
[M-H]- 140.035314 127.8
[M+NH4]+ 159.076413 145.2
[M+K]+ 180.005748 135.2
[M+H-H2O]+ 124.039850 118.7
[M+HCOO]- 186.040791 148.2
[M+CH3COO]- 200.056441 171.4
[M+Na-2H]- 162.017256 130.8
[M]+ 141.04204142 128.1
[M]- 141.04313858 128.1
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