CID 32013

Furacrinic acid

Structural Information

Molecular Formula
C15H14O4
SMILES
CCC(=C)C(=O)C1=CC2=C(C=C1C)OC(=C2)C(=O)O
InChI
InChI=1S/C15H14O4/c1-4-8(2)14(16)11-6-10-7-13(15(17)18)19-12(10)5-9(11)3/h5-7H,2,4H2,1,3H3,(H,17,18)
InChIKey
DLTWLXUYSLIIQN-UHFFFAOYSA-N
Compound name
6-methyl-5-(2-methylidenebutanoyl)-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

258.0892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.3
[M+Na]+ 281.07842 165.6
[M-H]- 257.08192 161.1
[M+NH4]+ 276.12302 174.3
[M+K]+ 297.05236 163.5
[M+H-H2O]+ 241.08646 151.2
[M+HCOO]- 303.08740 176.9
[M+CH3COO]- 317.10305 196.0
[M+Na-2H]- 279.06387 157.9
[M]+ 258.08865 161.0
[M]- 258.08975 161.0
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

No patent data available for this compound.