CID 800878

384362-88-3

Structural Information

Molecular Formula
C14H14O4
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC(=C)C)C(=O)O
InChI
InChI=1S/C14H14O4/c1-8(2)7-17-10-4-5-12-11(6-10)13(14(15)16)9(3)18-12/h4-6H,1,7H2,2-3H3,(H,15,16)
InChIKey
ZUXSCCJQOVGQMH-UHFFFAOYSA-N
Compound name
2-methyl-5-(2-methylprop-2-enoxy)-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

246.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 152.9
[M+Na]+ 269.07842 162.6
[M-H]- 245.08192 157.8
[M+NH4]+ 264.12302 171.6
[M+K]+ 285.05236 160.8
[M+H-H2O]+ 229.08646 147.8
[M+HCOO]- 291.08740 174.6
[M+CH3COO]- 305.10305 192.8
[M+Na-2H]- 267.06387 156.2
[M]+ 246.08865 158.6
[M]- 246.08975 158.6
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

No patent data available for this compound.