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

9
Patents

250.0082 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01548 152.6
[M+Na]+ 272.99742 158.3
[M-H]- 249.00092 153.7
[M+NH4]+ 268.04202 169.6
[M+K]+ 288.97136 154.5
[M+H-H2O]+ 233.00546 146.5
[M+HCOO]- 295.00640 164.6
[M+CH3COO]- 309.02205 188.5
[M+Na-2H]- 270.98287 153.1
[M]+ 250.00765 152.7
[M]- 250.00875 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