CID 12891148

93771-18-7

Structural Information

Molecular Formula
C9H9NO2
SMILES
CCC1=CC2=C(C=C1)NC(=O)O2
InChI
InChI=1S/C9H9NO2/c1-2-6-3-4-7-8(5-6)12-9(11)10-7/h3-5H,2H2,1H3,(H,10,11)
InChIKey
BQIHAYHNMVVRAN-UHFFFAOYSA-N
Compound name
6-ethyl-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

163.06332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 129.5
[M+Na]+ 186.05254 143.9
[M+NH4]+ 181.09714 138.2
[M+K]+ 202.02648 139.6
[M-H]- 162.05604 132.2
[M+Na-2H]- 184.03799 135.8
[M]+ 163.06277 132.3
[M]- 163.06387 132.3
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

patents stripe