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

0
Patents

150.0317 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.038976 127.5
[M+Na]+ 173.020918 139.0
[M-H]- 149.024424 130.6
[M+NH4]+ 168.065523 147.0
[M+K]+ 188.994858 137.5
[M+H-H2O]+ 133.028960 116.3
[M+HCOO]- 195.029901 146.4
[M+CH3COO]- 209.045551 182.1
[M+Na-2H]- 171.006366 132.4
[M]+ 150.03115142 125.3
[M]- 150.03224858 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