CID 112573871

[methyl(prop-2-yn-1-yl)sulfamoyl]amine

Structural Information

Molecular Formula
C4H8N2O2S
SMILES
CN(CC#C)S(=O)(=O)N
InChI
InChI=1S/C4H8N2O2S/c1-3-4-6(2)9(5,7)8/h1H,4H2,2H3,(H2,5,7,8)
InChIKey
FOTMRTTZFPFFHJ-UHFFFAOYSA-N
Compound name
3-[methyl(sulfamoyl)amino]prop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.03065 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.037926 135.0
[M+Na]+ 171.019868 144.2
[M-H]- 147.023374 136.3
[M+NH4]+ 166.064473 154.1
[M+K]+ 186.993808 144.1
[M+H-H2O]+ 131.027910 123.8
[M+HCOO]- 193.028851 149.3
[M+CH3COO]- 207.044501 186.8
[M+Na-2H]- 169.005316 137.8
[M]+ 148.03010142 130.9
[M]- 148.03119858 130.9
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.