CID 74346

2-ethyl-5-methylfuran

Structural Information

Molecular Formula
C7H10O
SMILES
CCC1=CC=C(O1)C
InChI
InChI=1S/C7H10O/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3
InChIKey
NBXLPPVOZWYADY-UHFFFAOYSA-N
Compound name
2-ethyl-5-methylfuran
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

0
References

677
Patents

110.073166 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 119.0
[M+Na]+ 133.06238 128.3
[M-H]- 109.06589 123.9
[M+NH4]+ 128.10699 142.9
[M+K]+ 149.03632 128.7
[M+H-H2O]+ 93.070426 114.7
[M+HCOO]- 155.07137 144.3
[M+CH3COO]- 169.08702 168.5
[M+Na-2H]- 131.04783 126.5
[M]+ 110.07262 121.4
[M]- 110.07371 121.4
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