CID 44237358

(e)-omega-(methylsulfanyl)hexyl-thiohydroximate

Structural Information

Molecular Formula
C7H15NOS2
SMILES
CSCCCCCC(=S)NO
InChI
InChI=1S/C7H15NOS2/c1-11-6-4-2-3-5-7(10)8-9/h9H,2-6H2,1H3,(H,8,10)
InChIKey
HZGWSMQRHPTXFL-UHFFFAOYSA-N
Compound name
N-hydroxy-6-methylsulfanylhexanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

193.05951 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06679 140.3
[M+Na]+ 216.04873 145.4
[M-H]- 192.05223 138.4
[M+NH4]+ 211.09333 159.1
[M+K]+ 232.02267 141.2
[M+H-H2O]+ 176.05677 134.5
[M+HCOO]- 238.05771 150.8
[M+CH3COO]- 252.07336 182.3
[M+Na-2H]- 214.03418 139.7
[M]+ 193.05896 141.7
[M]- 193.06006 141.7
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.