CID 65152500

2,4,5-trimethylfuran-3-carbaldehyde

Structural Information

Molecular Formula
C8H10O2
SMILES
CC1=C(OC(=C1C=O)C)C
InChI
InChI=1S/C8H10O2/c1-5-6(2)10-7(3)8(5)4-9/h4H,1-3H3
InChIKey
VQJWBUBKCGSNMT-UHFFFAOYSA-N
Compound name
2,4,5-trimethylfuran-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

138.06808 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 123.9
[M+Na]+ 161.057298 134.8
[M-H]- 137.060804 129.3
[M+NH4]+ 156.101903 147.1
[M+K]+ 177.031238 134.8
[M+H-H2O]+ 121.065340 119.9
[M+HCOO]- 183.066281 149.3
[M+CH3COO]- 197.081931 174.9
[M+Na-2H]- 159.042746 129.6
[M]+ 138.06753142 128.1
[M]- 138.06862858 128.1
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