CID 723005

202805-22-9

Structural Information

Molecular Formula
C10H11NO4S
SMILES
C1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C10H11NO4S/c12-10(13)8-11-16(14,15)7-6-9-4-2-1-3-5-9/h1-7,11H,8H2,(H,12,13)/b7-6+
InChIKey
BENSSPRDYYRKBA-VOTSOKGWSA-N
Compound name
2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

241.04088 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04816 151.9
[M+Na]+ 264.03010 160.6
[M+NH4]+ 259.07470 157.5
[M+K]+ 280.00404 154.7
[M-H]- 240.03360 151.1
[M+Na-2H]- 262.01555 155.8
[M]+ 241.04033 152.9
[M]- 241.04143 152.9
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