CID 155978191

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

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]+ 190.064476 138.9
[M+Na]+ 212.046418 148.7
[M-H]- 188.049924 140.3
[M+NH4]+ 207.091023 158.0
[M+K]+ 228.020358 146.3
[M+H-H2O]+ 172.054460 132.6
[M+HCOO]- 234.055401 156.9
[M+CH3COO]- 248.071051 179.6
[M+Na-2H]- 210.031866 142.1
[M]+ 189.05665142 141.2
[M]- 189.05774858 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.