CID 36744

4-methyl-2,3-dihydrofuran

Structural Information

Molecular Formula
C5H8O
SMILES
CC1=COCC1
InChI
InChI=1S/C5H8O/c1-5-2-3-6-4-5/h4H,2-3H2,1H3
InChIKey
FWGYRFWKBWPRJD-UHFFFAOYSA-N
Compound name
4-methyl-2,3-dihydrofuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

361
Patents

84.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 112.4
[M+Na]+ 107.046738 120.4
[M-H]- 83.050244 116.7
[M+NH4]+ 102.091343 136.8
[M+K]+ 123.020678 121.6
[M+H-H2O]+ 67.054780 108.1
[M+HCOO]- 129.055721 136.8
[M+CH3COO]- 143.071371 161.7
[M+Na-2H]- 105.032186 120.6
[M]+ 84.05697142 112.1
[M]- 84.05806858 112.1
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