CID 159894

Methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Structural Information

Molecular Formula
C12H14O5
SMILES
COC1=CC(=CC(=C1O)OC)C=CC(=O)OC
InChI
InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3
InChIKey
JHLPYWLKSLVYOI-UHFFFAOYSA-N
Compound name
methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

123
Patents

238.08412 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.091396 149.3
[M+Na]+ 261.073338 158.0
[M-H]- 237.076844 152.2
[M+NH4]+ 256.117943 166.9
[M+K]+ 277.047278 156.6
[M+H-H2O]+ 221.081380 143.4
[M+HCOO]- 283.082321 171.9
[M+CH3COO]- 297.097971 189.4
[M+Na-2H]- 259.058786 152.4
[M]+ 238.08357142 154.7
[M]- 238.08466858 154.7
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