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

87
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 128.7
[M+Na]+ 186.05254 140.5
[M-H]- 162.05604 132.4
[M+NH4]+ 181.09714 149.7
[M+K]+ 202.02648 138.1
[M+H-H2O]+ 146.06058 123.4
[M+HCOO]- 208.06152 152.4
[M+CH3COO]- 222.07717 174.0
[M+Na-2H]- 184.03799 137.5
[M]+ 163.06277 131.9
[M]- 163.06387 131.9
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