CID 18983630

Methyl 5-formylfuran-3-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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 128.3
[M+Na]+ 177.01583 139.2
[M+NH4]+ 172.06043 135.5
[M+K]+ 192.98977 137.2
[M-H]- 153.01933 129.4
[M+Na-2H]- 175.00128 132.5
[M]+ 154.02606 129.9
[M]- 154.02716 129.9
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