CID 905953

Methyl 5-phenyl-1,2-oxazole-3-carboxylate

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC(=O)C1=NOC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C11H9NO3/c1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
XMPLCJOQBDGMKT-UHFFFAOYSA-N
Compound name
methyl 5-phenyl-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

65
Patents

203.05824 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 140.6
[M+Na]+ 226.047458 149.5
[M-H]- 202.050964 147.3
[M+NH4]+ 221.092063 158.7
[M+K]+ 242.021398 148.9
[M+H-H2O]+ 186.055500 133.6
[M+HCOO]- 248.056441 164.5
[M+CH3COO]- 262.072091 182.1
[M+Na-2H]- 224.032906 146.7
[M]+ 203.05769142 143.9
[M]- 203.05878858 143.9
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