CID 6433837

Cinnamic acid, o-sulfamoyl-, ethyl ester, (e)-

Structural Information

Molecular Formula
C11H13NO4S
SMILES
CCOC(=O)/C=C/C1=CC=CC=C1S(=O)(=O)N
InChI
InChI=1S/C11H13NO4S/c1-2-16-11(13)8-7-9-5-3-4-6-10(9)17(12,14)15/h3-8H,2H2,1H3,(H2,12,14,15)/b8-7+
InChIKey
WMQHMYRPAFTQPV-BQYQJAHWSA-N
Compound name
ethyl (E)-3-(2-sulfamoylphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.05653 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.063806 154.9
[M+Na]+ 278.045748 162.4
[M-H]- 254.049254 158.1
[M+NH4]+ 273.090353 171.7
[M+K]+ 294.019688 158.9
[M+H-H2O]+ 238.053790 148.6
[M+HCOO]- 300.054731 172.8
[M+CH3COO]- 314.070381 191.2
[M+Na-2H]- 276.031196 157.3
[M]+ 255.05598142 157.8
[M]- 255.05707858 157.8
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.