CID 18421231

2-(furan-3-yl)propanoic acid

Structural Information

Molecular Formula
C7H8O3
SMILES
CC(C1=COC=C1)C(=O)O
InChI
InChI=1S/C7H8O3/c1-5(7(8)9)6-2-3-10-4-6/h2-5H,1H3,(H,8,9)
InChIKey
SQMPTIRFFDGNBW-UHFFFAOYSA-N
Compound name
2-(furan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

140.04735 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 127.1
[M+Na]+ 163.03657 137.2
[M+NH4]+ 158.08117 134.6
[M+K]+ 179.01051 135.5
[M-H]- 139.04007 128.2
[M+Na-2H]- 161.02202 131.1
[M]+ 140.04680 128.5
[M]- 140.04790 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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