CID 6450719

Cinnamic acid, (3-methoxy-4-propoxy)thio-, o-ethyl ester

Structural Information

Molecular Formula
C15H20O3S
SMILES
CCCOC1=C(C=C(C=C1)/C=C/C(=S)OCC)OC
InChI
InChI=1S/C15H20O3S/c1-4-10-18-13-8-6-12(11-14(13)16-3)7-9-15(19)17-5-2/h6-9,11H,4-5,10H2,1-3H3/b9-7+
InChIKey
FCLIFAOQFOLUPS-VQHVLOKHSA-N
Compound name
O-ethyl (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1133 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12058 166.3
[M+Na]+ 303.10252 177.5
[M+NH4]+ 298.14712 173.5
[M+K]+ 319.07646 168.5
[M-H]- 279.10602 167.5
[M+Na-2H]- 301.08797 170.3
[M]+ 280.11275 168.6
[M]- 280.11385 168.6
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

No patent data available for this compound.