CID 5377733

2-propenoic acid, 3-(2,4,6-trimethoxyphenyl)-, ethyl ester

Structural Information

Molecular Formula
C14H18O5
SMILES
CCOC(=O)/C=C/C1=C(C=C(C=C1OC)OC)OC
InChI
InChI=1S/C14H18O5/c1-5-19-14(15)7-6-11-12(17-3)8-10(16-2)9-13(11)18-4/h6-9H,5H2,1-4H3/b7-6+
InChIKey
NGOZXDZLACOEPS-VOTSOKGWSA-N
Compound name
ethyl (E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

266.11542 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.122696 157.9
[M+Na]+ 289.104638 166.1
[M-H]- 265.108144 161.8
[M+NH4]+ 284.149243 175.1
[M+K]+ 305.078578 165.2
[M+H-H2O]+ 249.112680 151.4
[M+HCOO]- 311.113621 181.3
[M+CH3COO]- 325.129271 197.9
[M+Na-2H]- 287.090086 160.4
[M]+ 266.11487142 165.9
[M]- 266.11596858 165.9
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