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]+ 249.112136 155.1
[M+Na]+ 271.094078 163.3
[M-H]- 247.097584 159.2
[M+NH4]+ 266.138683 173.7
[M+K]+ 287.068018 161.2
[M+H-H2O]+ 231.102120 150.0
[M+HCOO]- 293.103061 175.0
[M+CH3COO]- 307.118711 191.8
[M+Na-2H]- 269.079526 157.8
[M]+ 248.10431142 158.5
[M]- 248.10540858 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.