CID 155978191

2-[(1-methyl-1h-pyrazol-4-yl)sulfonyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H11N3O2S
SMILES
CN1C=C(C=N1)S(=O)(=O)CCN
InChI
InChI=1S/C6H11N3O2S/c1-9-5-6(4-8-9)12(10,11)3-2-7/h4-5H,2-3,7H2,1H3
InChIKey
FRVPUDBQPIUCHP-UHFFFAOYSA-N
Compound name
2-(1-methylpyrazol-4-yl)sulfonylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.0572 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06448 138.9
[M+Na]+ 212.04642 148.7
[M-H]- 188.04992 140.3
[M+NH4]+ 207.09102 158.0
[M+K]+ 228.02036 146.3
[M+H-H2O]+ 172.05446 132.6
[M+HCOO]- 234.05540 156.9
[M+CH3COO]- 248.07105 179.6
[M+Na-2H]- 210.03187 142.1
[M]+ 189.05665 141.2
[M]- 189.05775 141.2
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.