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

5
Patents

152.04735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 130.6
[M+Na]+ 175.03657 138.0
[M-H]- 151.04007 133.6
[M+NH4]+ 170.08117 151.2
[M+K]+ 191.01051 137.7
[M+H-H2O]+ 135.04461 125.7
[M+HCOO]- 197.04555 152.8
[M+CH3COO]- 211.06120 171.0
[M+Na-2H]- 173.02202 135.0
[M]+ 152.04680 131.0
[M]- 152.04790 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