CID 643406

4,5-dimethyl-2-furaldehyde

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

431
Patents

124.05243 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe