CID 154578258

Cyclohexyl(ethyl)imino-lambda6-sulfanone

Structural Information

Molecular Formula
C8H17NOS
SMILES
CCS(=N)(=O)C1CCCCC1
InChI
InChI=1S/C8H17NOS/c1-2-11(9,10)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChIKey
HNVJQUHPMNHIAD-UHFFFAOYSA-N
Compound name
cyclohexyl-ethyl-imino-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.10309 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11037 138.6
[M+Na]+ 198.09231 147.3
[M+NH4]+ 193.13691 147.2
[M+K]+ 214.06625 140.0
[M-H]- 174.09581 140.2
[M+Na-2H]- 196.07776 142.9
[M]+ 175.10254 140.5
[M]- 175.10364 140.5
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.