CID 139026743

2-amino-3-(thiophene-3-sulfonamido)propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H10N2O4S2
SMILES
C1=CSC=C1S(=O)(=O)NCC(C(=O)O)N
InChI
InChI=1S/C7H10N2O4S2/c8-6(7(10)11)3-9-15(12,13)5-1-2-14-4-5/h1-2,4,6,9H,3,8H2,(H,10,11)
InChIKey
YCXSFSLFKYDQTO-UHFFFAOYSA-N
Compound name
2-amino-3-(thiophen-3-ylsulfonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.0082 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.015476 152.6
[M+Na]+ 272.997418 158.3
[M-H]- 249.000924 153.7
[M+NH4]+ 268.042023 169.6
[M+K]+ 288.971358 154.5
[M+H-H2O]+ 233.005460 146.5
[M+HCOO]- 295.006401 164.6
[M+CH3COO]- 309.022051 188.5
[M+Na-2H]- 270.982866 153.1
[M]+ 250.00765142 152.7
[M]- 250.00874858 152.7
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

patents stripe