CID 19462

2,4-dimethylfuran

Structural Information

Molecular Formula
C6H8O
SMILES
CC1=CC(=CO1)C
InChI
InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChIKey
AABTWRKUKUPMJG-UHFFFAOYSA-N
Compound name
2,4-dimethylfuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

887
Patents

96.05752 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 114.9
[M+Na]+ 119.04674 127.9
[M+NH4]+ 114.09134 124.8
[M+K]+ 135.02068 123.8
[M-H]- 95.050244 118.5
[M+Na-2H]- 117.03219 121.6
[M]+ 96.056971 117.8
[M]- 96.058069 117.8
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