CID 16227253

5-(aminomethyl)-n-methylthiophene-2-sulfonamide hydrochloride

Structural Information

Molecular Formula
C6H10N2O2S2
SMILES
CNS(=O)(=O)C1=CC=C(S1)CN
InChI
InChI=1S/C6H10N2O2S2/c1-8-12(9,10)6-3-2-5(4-7)11-6/h2-3,8H,4,7H2,1H3
InChIKey
YGVKXBWOVIQSEB-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-N-methylthiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.01837 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02565 141.6
[M+Na]+ 229.00759 150.2
[M-H]- 205.01109 144.8
[M+NH4]+ 224.05219 162.0
[M+K]+ 244.98153 145.9
[M+H-H2O]+ 189.01563 135.9
[M+HCOO]- 251.01657 156.9
[M+CH3COO]- 265.03222 184.0
[M+Na-2H]- 226.99304 143.5
[M]+ 206.01782 142.7
[M]- 206.01892 142.7
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

No patent data available for this compound.