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

0
Patents

154.02661 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03389 126.2
[M+Na]+ 177.01583 135.6
[M-H]- 153.01933 131.1
[M+NH4]+ 172.06043 147.8
[M+K]+ 192.98977 136.6
[M+H-H2O]+ 137.02387 121.5
[M+HCOO]- 199.02481 151.6
[M+CH3COO]- 213.04046 173.0
[M+Na-2H]- 175.00128 132.5
[M]+ 154.02606 130.7
[M]- 154.02716 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

No patent data available for this compound.