CID 12260247

2-propenylfuran

Structural Information

Molecular Formula
C7H8O
SMILES
C/C=C/C1=CC=CO1
InChI
InChI=1S/C7H8O/c1-2-4-7-5-3-6-8-7/h2-6H,1H3/b4-2+
InChIKey
IGWQTPINFQSICW-DUXPYHPUSA-N
Compound name
2-[(E)-prop-1-enyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

108.05752 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06480 118.7
[M+Na]+ 131.04674 127.4
[M-H]- 107.05024 123.2
[M+NH4]+ 126.09134 142.3
[M+K]+ 147.02068 127.2
[M+H-H2O]+ 91.054780 114.2
[M+HCOO]- 153.05572 144.2
[M+CH3COO]- 167.07137 165.8
[M+Na-2H]- 129.03219 126.9
[M]+ 108.05697 119.9
[M]- 108.05807 119.9
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