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

88
Patents

163.06332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.070596 128.7
[M+Na]+ 186.052538 140.5
[M-H]- 162.056044 132.4
[M+NH4]+ 181.097143 149.7
[M+K]+ 202.026478 138.1
[M+H-H2O]+ 146.060580 123.4
[M+HCOO]- 208.061521 152.4
[M+CH3COO]- 222.077171 174.0
[M+Na-2H]- 184.037986 137.5
[M]+ 163.06277142 131.9
[M]- 163.06386858 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