CID 15082300

137013-01-5

Structural Information

Molecular Formula
C14H20O4
SMILES
CCOC1=C(C=C(C=C1)CCCC(=O)O)OCC
InChI
InChI=1S/C14H20O4/c1-3-17-12-9-8-11(6-5-7-14(15)16)10-13(12)18-4-2/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKey
LNUSFPLLQGXARE-UHFFFAOYSA-N
Compound name
4-(3,4-diethoxyphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.13615 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14343 157.9
[M+Na]+ 275.12537 164.4
[M-H]- 251.12887 159.9
[M+NH4]+ 270.16997 174.6
[M+K]+ 291.09931 162.5
[M+H-H2O]+ 235.13341 151.4
[M+HCOO]- 297.13435 179.4
[M+CH3COO]- 311.15000 194.2
[M+Na-2H]- 273.11082 160.3
[M]+ 252.13560 163.0
[M]- 252.13670 163.0
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.