CID 2779820

Methyl 5-formyl-2-methylfuran-3-carboxylate

Structural Information

Molecular Formula
C8H8O4
SMILES
CC1=C(C=C(O1)C=O)C(=O)OC
InChI
InChI=1S/C8H8O4/c1-5-7(8(10)11-2)3-6(4-9)12-5/h3-4H,1-2H3
InChIKey
WINMHOHYPKKTEM-UHFFFAOYSA-N
Compound name
methyl 5-formyl-2-methylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

168.04225 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 130.0
[M+Na]+ 191.03147 139.9
[M-H]- 167.03497 135.2
[M+NH4]+ 186.07607 151.4
[M+K]+ 207.00541 140.7
[M+H-H2O]+ 151.03951 125.4
[M+HCOO]- 213.04045 155.0
[M+CH3COO]- 227.05610 177.2
[M+Na-2H]- 189.01692 135.2
[M]+ 168.04170 135.3
[M]- 168.04280 135.3
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

No patent data available for this compound.