CID 21264180

3-(furan-3-yl)prop-2-ynoic acid

Structural Information

Molecular Formula
C7H4O3
SMILES
C1=COC=C1C#CC(=O)O
InChI
InChI=1S/C7H4O3/c8-7(9)2-1-6-3-4-10-5-6/h3-5H,(H,8,9)
InChIKey
VKAUDHHUOZHGNU-UHFFFAOYSA-N
Compound name
3-(furan-3-yl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

136.01604 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02332 126.2
[M+Na]+ 159.00526 136.7
[M+NH4]+ 154.04986 130.2
[M+K]+ 174.97920 131.1
[M-H]- 135.00876 119.2
[M+Na-2H]- 156.99071 127.9
[M]+ 136.01549 124.7
[M]- 136.01659 124.7
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