CID 12634722

Methyl 2,5-dihydrofuran-2-carboxylate

Structural Information

Molecular Formula
C6H8O3
SMILES
COC(=O)C1C=CCO1
InChI
InChI=1S/C6H8O3/c1-8-6(7)5-3-2-4-9-5/h2-3,5H,4H2,1H3
InChIKey
JEXXYHJLISOZHN-UHFFFAOYSA-N
Compound name
methyl 2,5-dihydrofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

128.04735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 122.8
[M+Na]+ 151.036568 130.4
[M-H]- 127.040074 127.1
[M+NH4]+ 146.081173 145.2
[M+K]+ 167.010508 132.0
[M+H-H2O]+ 111.044610 118.1
[M+HCOO]- 173.045551 146.6
[M+CH3COO]- 187.061201 168.0
[M+Na-2H]- 149.022016 129.2
[M]+ 128.04680142 124.4
[M]- 128.04789858 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe