CID 293194

Ethyl 2-(1,3-benzoxazol-2-yl)butanoate

Structural Information

Molecular Formula
C13H15NO3
SMILES
CCC(C1=NC2=CC=CC=C2O1)C(=O)OCC
InChI
InChI=1S/C13H15NO3/c1-3-9(13(15)16-4-2)12-14-10-7-5-6-8-11(10)17-12/h5-9H,3-4H2,1-2H3
InChIKey
LMCGTHLSVRBSJI-UHFFFAOYSA-N
Compound name
ethyl 2-(1,3-benzoxazol-2-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 151.6
[M+Na]+ 256.09442 160.3
[M-H]- 232.09792 155.8
[M+NH4]+ 251.13902 169.8
[M+K]+ 272.06836 159.4
[M+H-H2O]+ 216.10246 144.9
[M+HCOO]- 278.10340 173.5
[M+CH3COO]- 292.11905 190.5
[M+Na-2H]- 254.07987 156.9
[M]+ 233.10465 157.6
[M]- 233.10575 157.6
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.