CID 3765435

850802-71-0

Structural Information

Molecular Formula
C6H13N3O2S
SMILES
CN(C)S(=O)(=O)N(C)CCC#N
InChI
InChI=1S/C6H13N3O2S/c1-8(2)12(10,11)9(3)6-4-5-7/h4,6H2,1-3H3
InChIKey
DHPGSEUWTGMTSM-UHFFFAOYSA-N
Compound name
3-[dimethylsulfamoyl(methyl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.07285 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08013 144.9
[M+Na]+ 214.06207 152.8
[M-H]- 190.06557 148.7
[M+NH4]+ 209.10667 163.5
[M+K]+ 230.03601 154.7
[M+H-H2O]+ 174.07011 132.4
[M+HCOO]- 236.07105 161.7
[M+CH3COO]- 250.08670 202.7
[M+Na-2H]- 212.04752 148.0
[M]+ 191.07230 144.4
[M]- 191.07340 144.4
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.