CID 5916536

855715-42-3

Structural Information

Molecular Formula
C14H16O4
SMILES
CCOC1=C(C=C2C(=C1)CC(O2)C)/C=C/C(=O)O
InChI
InChI=1S/C14H16O4/c1-3-17-12-8-11-6-9(2)18-13(11)7-10(12)4-5-14(15)16/h4-5,7-9H,3,6H2,1-2H3,(H,15,16)/b5-4+
InChIKey
IEVIGEWGDQZBOB-SNAWJCMRSA-N
Compound name
(E)-3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

248.10486 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11214 155.1
[M+Na]+ 271.09408 163.3
[M-H]- 247.09758 159.2
[M+NH4]+ 266.13868 173.7
[M+K]+ 287.06802 161.2
[M+H-H2O]+ 231.10212 150.0
[M+HCOO]- 293.10306 175.0
[M+CH3COO]- 307.11871 191.8
[M+Na-2H]- 269.07953 157.8
[M]+ 248.10431 158.5
[M]- 248.10541 158.5
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.