CID 44237158

(e)-n-hydroxy-7-(methylsulfanyl)heptimidothioate

Structural Information

Molecular Formula
C8H17NOS2
SMILES
CSCCCCCCC(=S)NO
InChI
InChI=1S/C8H17NOS2/c1-12-7-5-3-2-4-6-8(11)9-10/h10H,2-7H2,1H3,(H,9,11)
InChIKey
GLRIWFRUUABTJT-UHFFFAOYSA-N
Compound name
N-hydroxy-7-methylsulfanylheptanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

207.07515 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08243 144.4
[M+Na]+ 230.06437 149.1
[M-H]- 206.06787 142.4
[M+NH4]+ 225.10897 162.7
[M+K]+ 246.03831 144.6
[M+H-H2O]+ 190.07241 138.4
[M+HCOO]- 252.07335 154.6
[M+CH3COO]- 266.08900 185.3
[M+Na-2H]- 228.04982 143.4
[M]+ 207.07460 146.2
[M]- 207.07570 146.2
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.