CID 600373

2,2'-ethylidenebis(5-methylfuran)

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1=CC=C(O1)C(C)C2=CC=C(O2)C
InChI
InChI=1S/C12H14O2/c1-8-4-6-11(13-8)10(3)12-7-5-9(2)14-12/h4-7,10H,1-3H3
InChIKey
RGYDDEPEONUGQN-UHFFFAOYSA-N
Compound name
2-methyl-5-[1-(5-methylfuran-2-yl)ethyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

190.09938 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 139.9
[M+Na]+ 213.088598 150.0
[M-H]- 189.092104 149.1
[M+NH4]+ 208.133203 161.0
[M+K]+ 229.062538 150.3
[M+H-H2O]+ 173.096640 135.4
[M+HCOO]- 235.097581 165.5
[M+CH3COO]- 249.113231 183.4
[M+Na-2H]- 211.074046 144.3
[M]+ 190.09883142 145.6
[M]- 190.09992858 145.6
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.