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 154.5
[M+Na]+ 278.04575 161.3
[M-H]- 254.04925 156.7
[M+NH4]+ 273.09035 170.7
[M+K]+ 294.01969 157.4
[M+H-H2O]+ 238.05379 148.3
[M+HCOO]- 300.05473 171.5
[M+CH3COO]- 314.07038 190.1
[M+Na-2H]- 276.03120 157.5
[M]+ 255.05598 156.5
[M]- 255.05708 156.5
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.