CID 956041

2,5-dimethylfuran-3-carbaldehyde

Structural Information

Molecular Formula
C7H8O2
SMILES
CC1=CC(=C(O1)C)C=O
InChI
InChI=1S/C7H8O2/c1-5-3-7(4-8)6(2)9-5/h3-4H,1-2H3
InChIKey
RIMWBHRVGAHGNE-UHFFFAOYSA-N
Compound name
2,5-dimethylfuran-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

124.05243 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.059706 120.0
[M+Na]+ 147.041648 130.5
[M-H]- 123.045154 125.3
[M+NH4]+ 142.086253 143.5
[M+K]+ 163.015588 130.7
[M+H-H2O]+ 107.049690 115.9
[M+HCOO]- 169.050631 145.8
[M+CH3COO]- 183.066281 170.7
[M+Na-2H]- 145.027096 126.9
[M]+ 124.05188142 123.5
[M]- 124.05297858 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe