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

literature stripe

Patent stripe

patents stripe