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]+ 139.07536 123.9
[M+Na]+ 161.05730 134.8
[M-H]- 137.06080 129.3
[M+NH4]+ 156.10190 147.1
[M+K]+ 177.03124 134.8
[M+H-H2O]+ 121.06534 119.9
[M+HCOO]- 183.06628 149.3
[M+CH3COO]- 197.08193 174.9
[M+Na-2H]- 159.04275 129.6
[M]+ 138.06753 128.1
[M]- 138.06863 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