CID 6080366

3-furfuracrylic acid

Structural Information

Molecular Formula
C8H8O3
SMILES
C1=COC(=C1)C/C=C/C(=O)O
InChI
InChI=1S/C8H8O3/c9-8(10)5-1-3-7-4-2-6-11-7/h1-2,4-6H,3H2,(H,9,10)/b5-1+
InChIKey
JKZFRKHYUVIIFN-ORCRQEGFSA-N
Compound name
(E)-4-(furan-2-yl)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

152.04735 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.054626 130.0
[M+Na]+ 175.036568 137.7
[M-H]- 151.040074 133.0
[M+NH4]+ 170.081173 150.8
[M+K]+ 191.010508 137.0
[M+H-H2O]+ 135.044610 125.1
[M+HCOO]- 197.045551 153.3
[M+CH3COO]- 211.061201 170.1
[M+Na-2H]- 173.022016 135.8
[M]+ 152.04680142 131.2
[M]- 152.04789858 131.2
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