CID 11263593

5-ethenyl-2-methylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C8H8O3
SMILES
CC1=C(C=C(O1)C=C)C(=O)O
InChI
InChI=1S/C8H8O3/c1-3-6-4-7(8(9)10)5(2)11-6/h3-4H,1H2,2H3,(H,9,10)
InChIKey
RDSQWSAQZWHDRZ-UHFFFAOYSA-N
Compound name
5-ethenyl-2-methylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

152.04735 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.054626 128.0
[M+Na]+ 175.036568 137.5
[M-H]- 151.040074 131.8
[M+NH4]+ 170.081173 149.4
[M+K]+ 191.010508 136.8
[M+H-H2O]+ 135.044610 123.8
[M+HCOO]- 197.045551 151.3
[M+CH3COO]- 211.061201 173.2
[M+Na-2H]- 173.022016 132.6
[M]+ 152.04680142 130.1
[M]- 152.04789858 130.1
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