CID 21702758

2,4-dimethyl-3-furaldehyde

Structural Information

Molecular Formula
C7H8O2
SMILES
CC1=COC(=C1C=O)C
InChI
InChI=1S/C7H8O2/c1-5-4-9-6(2)7(5)3-8/h3-4H,1-2H3
InChIKey
MGSAYHDYMMHZQE-UHFFFAOYSA-N
Compound name
2,4-dimethylfuran-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

124.05243 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.05971 120.0
[M+Na]+ 147.04165 130.5
[M-H]- 123.04515 125.3
[M+NH4]+ 142.08625 143.5
[M+K]+ 163.01559 130.7
[M+H-H2O]+ 107.04969 115.9
[M+HCOO]- 169.05063 145.8
[M+CH3COO]- 183.06628 170.7
[M+Na-2H]- 145.02710 126.9
[M]+ 124.05188 123.5
[M]- 124.05298 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