CID 4961948

5-(2-aminoethyl)thiophene-2-sulfonamide hydrochloride

Structural Information

Molecular Formula
C6H10N2O2S2
SMILES
C1=C(SC(=C1)S(=O)(=O)N)CCN
InChI
InChI=1S/C6H10N2O2S2/c7-4-3-5-1-2-6(11-5)12(8,9)10/h1-2H,3-4,7H2,(H2,8,9,10)
InChIKey
ZQZFXEBUKQSRPZ-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)thiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

206.01837 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.025646 141.6
[M+Na]+ 229.007588 150.1
[M-H]- 205.011094 144.3
[M+NH4]+ 224.052193 161.7
[M+K]+ 244.981528 145.5
[M+H-H2O]+ 189.015630 135.9
[M+HCOO]- 251.016571 156.2
[M+CH3COO]- 265.032221 183.4
[M+Na-2H]- 226.993036 142.5
[M]+ 206.01782142 141.7
[M]- 206.01891858 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe