CID 101893047

2137749-43-8

Structural Information

Molecular Formula
C8H18N2OS
SMILES
CS(=NCC1CCNCC1)(=O)C
InChI
InChI=1S/C8H18N2OS/c1-12(2,11)10-7-8-3-5-9-6-4-8/h8-9H,3-7H2,1-2H3
InChIKey
GIWVCPGQYJAZIU-UHFFFAOYSA-N
Compound name
dimethyl-oxo-(piperidin-4-ylmethylimino)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11398 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.121256 142.1
[M+Na]+ 213.103198 147.1
[M-H]- 189.106704 143.4
[M+NH4]+ 208.147803 160.4
[M+K]+ 229.077138 144.6
[M+H-H2O]+ 173.111240 135.8
[M+HCOO]- 235.112181 156.1
[M+CH3COO]- 249.127831 180.7
[M+Na-2H]- 211.088646 145.5
[M]+ 190.11343142 138.7
[M]- 190.11452858 138.7
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.