CID 155821776

1-ethynyl-n-methylcyclopropane-1-sulfonamide

Structural Information

Molecular Formula
C6H9NO2S
SMILES
CNS(=O)(=O)C1(CC1)C#C
InChI
InChI=1S/C6H9NO2S/c1-3-6(4-5-6)10(8,9)7-2/h1,7H,4-5H2,2H3
InChIKey
OGUSOEFXWQUIMJ-UHFFFAOYSA-N
Compound name
1-ethynyl-N-methylcyclopropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.0354 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.042676 134.1
[M+Na]+ 182.024618 149.9
[M-H]- 158.028124 140.3
[M+NH4]+ 177.069223 152.0
[M+K]+ 197.998558 144.7
[M+H-H2O]+ 142.032660 126.7
[M+HCOO]- 204.033601 149.4
[M+CH3COO]- 218.049251 186.7
[M+Na-2H]- 180.010066 141.1
[M]+ 159.03485142 135.0
[M]- 159.03594858 135.0
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.