CID 177463

3-(5-methyl-2-furanyl)-2-propenoic acid

Structural Information

Molecular Formula
C8H8O3
SMILES
CC1=CC=C(O1)C=CC(=O)O
InChI
InChI=1S/C8H8O3/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
CQCKLDAUFPKXPU-UHFFFAOYSA-N
Compound name
3-(5-methylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

50
Patents

152.04735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.054626 129.2
[M+Na]+ 175.036568 137.8
[M-H]- 151.040074 132.6
[M+NH4]+ 170.081173 150.3
[M+K]+ 191.010508 137.1
[M+H-H2O]+ 135.044610 124.6
[M+HCOO]- 197.045551 152.5
[M+CH3COO]- 211.061201 171.3
[M+Na-2H]- 173.022016 134.3
[M]+ 152.04680142 130.7
[M]- 152.04789858 130.7
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