CID 61576999

1247700-03-3

Structural Information

Molecular Formula
C6H11ClN2O2S
SMILES
CCN(CC(C)C#N)S(=O)(=O)Cl
InChI
InChI=1S/C6H11ClN2O2S/c1-3-9(12(7,10)11)5-6(2)4-8/h6H,3,5H2,1-2H3
InChIKey
APHSMVKMTBLCAZ-UHFFFAOYSA-N
Compound name
N-(2-cyanopropyl)-N-ethylsulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.02298 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03026 147.0
[M+Na]+ 233.01220 156.4
[M-H]- 209.01570 150.0
[M+NH4]+ 228.05680 165.6
[M+K]+ 248.98614 155.4
[M+H-H2O]+ 193.02024 136.4
[M+HCOO]- 255.02118 157.9
[M+CH3COO]- 269.03683 199.3
[M+Na-2H]- 230.99765 149.2
[M]+ 210.02243 147.3
[M]- 210.02353 147.3
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.