CID 18972857

4,5-dihydrofuran-2-carboxylic acid

Structural Information

Molecular Formula
C5H6O3
SMILES
C1COC(=C1)C(=O)O
InChI
InChI=1S/C5H6O3/c6-5(7)4-2-1-3-8-4/h2H,1,3H2,(H,6,7)
InChIKey
NFTOEHBFQROATQ-UHFFFAOYSA-N
Compound name
2,3-dihydrofuran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26477
Patents

114.03169 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.038966 118.7
[M+Na]+ 137.020908 126.2
[M-H]- 113.024414 121.7
[M+NH4]+ 132.065513 140.9
[M+K]+ 152.994848 127.1
[M+H-H2O]+ 97.028950 114.3
[M+HCOO]- 159.029891 141.3
[M+CH3COO]- 173.045541 162.9
[M+Na-2H]- 135.006356 125.1
[M]+ 114.03114142 118.1
[M]- 114.03223858 118.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe