CID 15503958

Methyl 4-formyl-5-methylfuran-2-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 132.2
[M+Na]+ 191.03147 143.4
[M+NH4]+ 186.07607 139.2
[M+K]+ 207.00541 141.3
[M-H]- 167.03497 133.4
[M+Na-2H]- 189.01692 136.0
[M]+ 168.04170 133.9
[M]- 168.04280 133.9
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