CID 55302555

2,5-dihydrofuran-3-carboxylic acid

Structural Information

Molecular Formula
C5H6O3
SMILES
C1C=C(CO1)C(=O)O
InChI
InChI=1S/C5H6O3/c6-5(7)4-1-2-8-3-4/h1H,2-3H2,(H,6,7)
InChIKey
VGPHHRYBFDWNMV-UHFFFAOYSA-N
Compound name
2,5-dihydrofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

114.03169 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03897 119.7
[M+Na]+ 137.02091 129.6
[M+NH4]+ 132.06551 127.6
[M+K]+ 152.99485 127.8
[M-H]- 113.02441 120.8
[M+Na-2H]- 135.00636 123.7
[M]+ 114.03114 121.1
[M]- 114.03224 121.1
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