CID 15818585

Methyl 2-formylfuran-3-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
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

patents stripe