CID 5916372

2-[2-(4-methylphenyl)ethenesulfonamido]acetic acid

Structural Information

Molecular Formula
C11H13NO4S
SMILES
CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C11H13NO4S/c1-9-2-4-10(5-3-9)6-7-17(15,16)12-8-11(13)14/h2-7,12H,8H2,1H3,(H,13,14)/b7-6+
InChIKey
SXELJLLMSJFTSC-VOTSOKGWSA-N
Compound name
2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

255.05653 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06381 156.3
[M+Na]+ 278.04575 165.1
[M+NH4]+ 273.09035 161.7
[M+K]+ 294.01969 159.3
[M-H]- 254.04925 155.5
[M+Na-2H]- 276.03120 159.8
[M]+ 255.05598 157.4
[M]- 255.05708 157.4
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

No patent data available for this compound.