CID 6433780

(e)-o-sulfamoylcinnamic acid methyl ester

Structural Information

Molecular Formula
C10H11NO4S
SMILES
COC(=O)/C=C/C1=CC=CC=C1S(=O)(=O)N
InChI
InChI=1S/C10H11NO4S/c1-15-10(12)7-6-8-4-2-3-5-9(8)16(11,13)14/h2-7H,1H3,(H2,11,13,14)/b7-6+
InChIKey
SMWJHXUZYMSWDL-VOTSOKGWSA-N
Compound name
methyl (E)-3-(2-sulfamoylphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.04088 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04816 150.4
[M+Na]+ 264.03010 158.4
[M-H]- 240.03360 153.9
[M+NH4]+ 259.07470 167.8
[M+K]+ 280.00404 155.1
[M+H-H2O]+ 224.03814 144.3
[M+HCOO]- 286.03908 168.7
[M+CH3COO]- 300.05473 188.2
[M+Na-2H]- 262.01555 153.4
[M]+ 241.04033 153.0
[M]- 241.04143 153.0
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

patents stripe