CID 45079420

Methyl 3-(furan-3-yl)prop-2-ynoate

Structural Information

Molecular Formula
C8H6O3
SMILES
COC(=O)C#CC1=COC=C1
InChI
InChI=1S/C8H6O3/c1-10-8(9)3-2-7-4-5-11-6-7/h4-6H,1H3
InChIKey
OHQKPRGBXDXNIQ-UHFFFAOYSA-N
Compound name
methyl 3-(furan-3-yl)prop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.0317 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.038976 129.1
[M+Na]+ 173.020918 139.9
[M-H]- 149.024424 131.8
[M+NH4]+ 168.065523 148.4
[M+K]+ 188.994858 138.4
[M+H-H2O]+ 133.028960 117.6
[M+HCOO]- 195.029901 147.9
[M+CH3COO]- 209.045551 179.9
[M+Na-2H]- 171.006366 134.4
[M]+ 150.03115142 126.4
[M]- 150.03224858 126.4
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

No patent data available for this compound.