CID 2064016

(2e)-3-(3,4-diethoxyphenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C13H16O4
SMILES
CCOC1=C(C=C(C=C1)/C=C/C(=O)O)OCC
InChI
InChI=1S/C13H16O4/c1-3-16-11-7-5-10(6-8-13(14)15)9-12(11)17-4-2/h5-9H,3-4H2,1-2H3,(H,14,15)/b8-6+
InChIKey
GFKHDVAIQPNASW-SOFGYWHQSA-N
Compound name
(E)-3-(3,4-diethoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

236.10486 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11214 151.9
[M+Na]+ 259.09408 159.3
[M-H]- 235.09758 154.2
[M+NH4]+ 254.13868 169.3
[M+K]+ 275.06802 157.0
[M+H-H2O]+ 219.10212 145.8
[M+HCOO]- 281.10306 174.0
[M+CH3COO]- 295.11871 189.7
[M+Na-2H]- 257.07953 155.0
[M]+ 236.10431 155.9
[M]- 236.10541 155.9
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

patents stripe