CID 104276767

Methyl 5-ethynylfuran-2-carboxylate

Structural Information

Molecular Formula
C8H6O3
SMILES
COC(=O)C1=CC=C(O1)C#C
InChI
InChI=1S/C8H6O3/c1-3-6-4-5-7(11-6)8(9)10-2/h1,4-5H,2H3
InChIKey
CRULIDQWOUHHAE-UHFFFAOYSA-N
Compound name
methyl 5-ethynylfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

150.0317 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03898 127.5
[M+Na]+ 173.02092 139.0
[M-H]- 149.02442 130.6
[M+NH4]+ 168.06552 147.0
[M+K]+ 188.99486 137.5
[M+H-H2O]+ 133.02896 116.3
[M+HCOO]- 195.02990 146.4
[M+CH3COO]- 209.04555 182.1
[M+Na-2H]- 171.00637 132.4
[M]+ 150.03115 125.3
[M]- 150.03225 125.3
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