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]+ 191.12126 142.1
[M+Na]+ 213.10320 147.1
[M-H]- 189.10670 143.4
[M+NH4]+ 208.14780 160.4
[M+K]+ 229.07714 144.6
[M+H-H2O]+ 173.11124 135.8
[M+HCOO]- 235.11218 156.1
[M+CH3COO]- 249.12783 180.7
[M+Na-2H]- 211.08865 145.5
[M]+ 190.11343 138.7
[M]- 190.11453 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.