CID 3014647

2-ethenyl-5-methylfuran

Structural Information

Molecular Formula
C7H8O
SMILES
CC1=CC=C(O1)C=C
InChI
InChI=1S/C7H8O/c1-3-7-5-4-6(2)8-7/h3-5H,1H2,2H3
InChIKey
LTQOQNQWJBSGPF-UHFFFAOYSA-N
Compound name
2-ethenyl-5-methylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

108.05752 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06480 117.7
[M+Na]+ 131.04674 127.3
[M-H]- 107.05024 122.6
[M+NH4]+ 126.09134 141.5
[M+K]+ 147.02068 127.0
[M+H-H2O]+ 91.054780 113.5
[M+HCOO]- 153.05572 143.2
[M+CH3COO]- 167.07137 167.6
[M+Na-2H]- 129.03219 125.2
[M]+ 108.05697 119.3
[M]- 108.05807 119.4
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