CID 2775318

103788-64-3

Structural Information

Molecular Formula
C13H13NO3
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)OC
InChI
InChI=1S/C13H13NO3/c1-9-11(8-12(15)16-2)14-13(17-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey
UDWQWRFEUXUBHR-UHFFFAOYSA-N
Compound name
methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

108
Patents

231.08954 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 150.4
[M+Na]+ 254.07876 163.8
[M+NH4]+ 249.12336 157.9
[M+K]+ 270.05270 159.9
[M-H]- 230.08226 154.2
[M+Na-2H]- 252.06421 157.3
[M]+ 231.08899 153.3
[M]- 231.09009 153.3
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