CID 66206125

Ethyl 5-benzyl-4,5-dihydro-1,3-oxazole-4-carboxylate

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 151.7
[M+Na]+ 256.09442 158.6
[M-H]- 232.09792 157.5
[M+NH4]+ 251.13902 168.4
[M+K]+ 272.06836 157.7
[M+H-H2O]+ 216.10246 144.1
[M+HCOO]- 278.10340 173.4
[M+CH3COO]- 292.11905 188.4
[M+Na-2H]- 254.07987 155.6
[M]+ 233.10465 154.1
[M]- 233.10575 154.1
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.