CID 735841

Trans-2,3,4-trimethoxycinnamic acid

Structural Information

Molecular Formula
C12H14O5
SMILES
COC1=C(C(=C(C=C1)/C=C/C(=O)O)OC)OC
InChI
InChI=1S/C12H14O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b7-5+
InChIKey
ZYOPDNLIHHFGEC-FNORWQNLSA-N
Compound name
(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

436
Patents

238.08412 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 149.1
[M+Na]+ 261.07334 157.6
[M-H]- 237.07684 151.9
[M+NH4]+ 256.11794 166.6
[M+K]+ 277.04728 156.3
[M+H-H2O]+ 221.08138 143.2
[M+HCOO]- 283.08232 171.7
[M+CH3COO]- 297.09797 190.1
[M+Na-2H]- 259.05879 152.1
[M]+ 238.08357 154.6
[M]- 238.08467 154.6
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

patents stripe