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

literature stripe

Patent stripe

patents stripe