CID 47002352

3-(1,2-dimethyl-1h-imidazole-4-sulfonamido)propanoic acid

Structural Information

Molecular Formula
C8H13N3O4S
SMILES
CC1=NC(=CN1C)S(=O)(=O)NCCC(=O)O
InChI
InChI=1S/C8H13N3O4S/c1-6-10-7(5-11(6)2)16(14,15)9-4-3-8(12)13/h5,9H,3-4H2,1-2H3,(H,12,13)
InChIKey
OQKWFFHPGWAWHW-UHFFFAOYSA-N
Compound name
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.06268 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06996 154.8
[M+Na]+ 270.05190 162.1
[M+NH4]+ 265.09650 158.9
[M+K]+ 286.02584 159.9
[M-H]- 246.05540 151.8
[M+Na-2H]- 268.03735 155.9
[M]+ 247.06213 154.9
[M]- 247.06323 154.9
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.