CID 715629

2-(3,4-dimethylbenzenesulfonamido)acetic acid

Structural Information

Molecular Formula
C10H13NO4S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)O)C
InChI
InChI=1S/C10H13NO4S/c1-7-3-4-9(5-8(7)2)16(14,15)11-6-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKey
WPAMAJNYVFMPDV-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05653 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 150.1
[M+Na]+ 266.04575 157.9
[M-H]- 242.04925 152.8
[M+NH4]+ 261.09035 167.1
[M+K]+ 282.01969 154.8
[M+H-H2O]+ 226.05379 144.3
[M+HCOO]- 288.05473 167.2
[M+CH3COO]- 302.07038 189.8
[M+Na-2H]- 264.03120 153.0
[M]+ 243.05598 153.0
[M]- 243.05708 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

No patent data available for this compound.