CID 52232

73698-62-1

Structural Information

Molecular Formula
C14H14O5
SMILES
CC1=CC2=C(C=CC(=C2O1)OC)C(=O)CCC(=O)O
InChI
InChI=1S/C14H14O5/c1-8-7-10-9(11(15)4-6-13(16)17)3-5-12(18-2)14(10)19-8/h3,5,7H,4,6H2,1-2H3,(H,16,17)
InChIKey
LBRJCNYBXRTXAA-UHFFFAOYSA-N
Compound name
4-(7-methoxy-2-methyl-1-benzofuran-4-yl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.08414 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09142 155.7
[M+Na]+ 285.07336 165.2
[M-H]- 261.07686 160.5
[M+NH4]+ 280.11796 173.6
[M+K]+ 301.04730 164.0
[M+H-H2O]+ 245.08140 150.3
[M+HCOO]- 307.08234 177.6
[M+CH3COO]- 321.09799 195.0
[M+Na-2H]- 283.05881 159.1
[M]+ 262.08359 162.8
[M]- 262.08469 162.8
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.