CID 5191689

2-methyl-5-propylfuran

Structural Information

Molecular Formula
C8H12O
SMILES
CCCC1=CC=C(O1)C
InChI
InChI=1S/C8H12O/c1-3-4-8-6-5-7(2)9-8/h5-6H,3-4H2,1-2H3
InChIKey
XPYQVFYTBQVKIS-UHFFFAOYSA-N
Compound name
2-methyl-5-propylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

124.08881 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 124.1
[M+Na]+ 147.07803 136.6
[M+NH4]+ 142.12263 133.6
[M+K]+ 163.05197 132.1
[M-H]- 123.08153 127.5
[M+Na-2H]- 145.06348 130.2
[M]+ 124.08826 126.9
[M]- 124.08936 126.9
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