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

56
Patents

152.04735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 129.2
[M+Na]+ 175.03657 137.8
[M-H]- 151.04007 132.6
[M+NH4]+ 170.08117 150.3
[M+K]+ 191.01051 137.1
[M+H-H2O]+ 135.04461 124.6
[M+HCOO]- 197.04555 152.5
[M+CH3COO]- 211.06120 171.3
[M+Na-2H]- 173.02202 134.3
[M]+ 152.04680 130.7
[M]- 152.04790 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