CID 766922

3-(5-methyl-furan-2-yl)-acrylic acid

Structural Information

Molecular Formula
C8H8O3
SMILES
CC1=CC=C(O1)/C=C/C(=O)O
InChI
InChI=1S/C8H8O3/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3,(H,9,10)/b5-4+
InChIKey
CQCKLDAUFPKXPU-SNAWJCMRSA-N
Compound name
(E)-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]+ 153.05463 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

literature stripe

Patent stripe

patents stripe