CID 10329454

3-(furan-2-yl)but-2-enoic acid

Structural Information

Molecular Formula
C8H8O3
SMILES
C/C(=C\C(=O)O)/C1=CC=CO1
InChI
InChI=1S/C8H8O3/c1-6(5-8(9)10)7-3-2-4-11-7/h2-5H,1H3,(H,9,10)/b6-5+
InChIKey
PWSGIAZISDWKNV-AATRIKPKSA-N
Compound name
(E)-3-(furan-2-yl)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

152.04735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.054626 130.6
[M+Na]+ 175.036568 138.0
[M-H]- 151.040074 133.6
[M+NH4]+ 170.081173 151.2
[M+K]+ 191.010508 137.7
[M+H-H2O]+ 135.044610 125.7
[M+HCOO]- 197.045551 152.8
[M+CH3COO]- 211.061201 171.0
[M+Na-2H]- 173.022016 135.0
[M]+ 152.04680142 131.0
[M]- 152.04789858 131.0
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