CID 139198

2,3,4,5-tetramethylfuran

Structural Information

Molecular Formula
C8H12O
SMILES
CC1=C(OC(=C1C)C)C
InChI
InChI=1S/C8H12O/c1-5-6(2)8(4)9-7(5)3/h1-4H3
InChIKey
OMFSJRHPFYVJSP-UHFFFAOYSA-N
Compound name
2,3,4,5-tetramethylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

891
Patents

124.08881 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 122.0
[M+Na]+ 147.07803 132.7
[M-H]- 123.08153 127.5
[M+NH4]+ 142.12263 145.9
[M+K]+ 163.05197 132.8
[M+H-H2O]+ 107.08607 118.1
[M+HCOO]- 169.08701 147.0
[M+CH3COO]- 183.10266 173.8
[M+Na-2H]- 145.06348 127.7
[M]+ 124.08826 125.5
[M]- 124.08936 125.5
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