CID 15954245

Schembl5263805

Structural Information

Molecular Formula
C17H14O2
SMILES
CC(C)(C#C)OC1=CC2=C(C=C1)OC3=CC=CC=C32
InChI
InChI=1S/C17H14O2/c1-4-17(2,3)19-12-9-10-16-14(11-12)13-7-5-6-8-15(13)18-16/h1,5-11H,2-3H3
InChIKey
NUGKRTLQEUHJDV-UHFFFAOYSA-N
Compound name
2-(2-methylbut-3-yn-2-yloxy)dibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

250.09938 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 163.7
[M+Na]+ 273.08860 177.2
[M-H]- 249.09210 168.0
[M+NH4]+ 268.13320 181.6
[M+K]+ 289.06254 169.8
[M+H-H2O]+ 233.09664 152.0
[M+HCOO]- 295.09758 179.7
[M+CH3COO]- 309.11323 175.4
[M+Na-2H]- 271.07405 170.1
[M]+ 250.09883 163.0
[M]- 250.09993 163.0
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.