CID 643406

52480-43-0

Structural Information

Molecular Formula
C7H8O2
SMILES
CC1=C(OC(=C1)C=O)C
InChI
InChI=1S/C7H8O2/c1-5-3-7(4-8)9-6(5)2/h3-4H,1-2H3
InChIKey
JPTPEPVCVXGNJM-UHFFFAOYSA-N
Compound name
4,5-dimethylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

441
Patents

124.05243 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe