CID 4851544

2-(3,4-dimethylbenzenesulfonamido)-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C12H17NO5S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)NC(C(C)O)C(=O)O)C
InChI
InChI=1S/C12H17NO5S/c1-7-4-5-10(6-8(7)2)19(17,18)13-11(9(3)14)12(15)16/h4-6,9,11,13-14H,1-3H3,(H,15,16)
InChIKey
OYGCRHLXODFVBW-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethylphenyl)sulfonylamino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08273 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09001 163.2
[M+Na]+ 310.07195 170.4
[M+NH4]+ 305.11655 167.5
[M+K]+ 326.04589 167.2
[M-H]- 286.07545 161.2
[M+Na-2H]- 308.05740 164.8
[M]+ 287.08218 163.6
[M]- 287.08328 163.6
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.