CID 66206125

Akos015549502

Structural Information

Molecular Formula
C13H15NO3
SMILES
CCOC(=O)C1C(OC=N1)CC2=CC=CC=C2
InChI
InChI=1S/C13H15NO3/c1-2-16-13(15)12-11(17-9-14-12)8-10-6-4-3-5-7-10/h3-7,9,11-12H,2,8H2,1H3
InChIKey
IAWIKNUUBIVWRX-UHFFFAOYSA-N
Compound name
ethyl 5-benzyl-4,5-dihydro-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 152.2
[M+Na]+ 256.09442 164.3
[M+NH4]+ 251.13902 159.6
[M+K]+ 272.06836 160.3
[M-H]- 232.09792 155.8
[M+Na-2H]- 254.07987 158.4
[M]+ 233.10465 154.8
[M]- 233.10575 154.8
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

No patent data available for this compound.