CID 735846

Methyl 3,4,5-trimethoxycinnamate

Structural Information

Molecular Formula
C13H16O5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OC
InChI
InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+
InChIKey
KLXHCGFNNUQTEY-AATRIKPKSA-N
Compound name
methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

35
Patents

252.09978 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.107056 153.2
[M+Na]+ 275.088998 161.8
[M-H]- 251.092504 157.3
[M+NH4]+ 270.133603 170.9
[M+K]+ 291.062938 161.1
[M+H-H2O]+ 235.097040 146.9
[M+HCOO]- 297.097981 177.0
[M+CH3COO]- 311.113631 194.9
[M+Na-2H]- 273.074446 156.2
[M]+ 252.09923142 160.8
[M]- 252.10032858 160.8
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