CID 61780162

2-[4-(dimethylsulfamoyl)phenyl]propanoic acid

Structural Information

Molecular Formula
C11H15NO4S
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)N(C)C)C(=O)O
InChI
InChI=1S/C11H15NO4S/c1-8(11(13)14)9-4-6-10(7-5-9)17(15,16)12(2)3/h4-8H,1-3H3,(H,13,14)
InChIKey
GHLICBYZLCIWML-UHFFFAOYSA-N
Compound name
2-[4-(dimethylsulfamoyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.07217 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.079446 154.0
[M+Na]+ 280.061388 160.4
[M-H]- 256.064894 157.9
[M+NH4]+ 275.105993 170.8
[M+K]+ 296.035328 159.2
[M+H-H2O]+ 240.069430 147.9
[M+HCOO]- 302.070371 170.3
[M+CH3COO]- 316.086021 195.8
[M+Na-2H]- 278.046836 155.5
[M]+ 257.07162142 157.7
[M]- 257.07271858 157.7
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.