CID 9361734

Methyl 3-formylfuran-2-carboxylate

Structural Information

Molecular Formula
C7H6O4
SMILES
COC(=O)C1=C(C=CO1)C=O
InChI
InChI=1S/C7H6O4/c1-10-7(9)6-5(4-8)2-3-11-6/h2-4H,1H3
InChIKey
WMLYEFDVFZYMCB-UHFFFAOYSA-N
Compound name
methyl 3-formylfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.02661 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.033886 126.2
[M+Na]+ 177.015828 135.6
[M-H]- 153.019334 131.1
[M+NH4]+ 172.060433 147.8
[M+K]+ 192.989768 136.6
[M+H-H2O]+ 137.023870 121.5
[M+HCOO]- 199.024811 151.6
[M+CH3COO]- 213.040461 173.0
[M+Na-2H]- 175.001276 132.5
[M]+ 154.02606142 130.7
[M]- 154.02715858 130.7
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