CID 44237310

(e)-omega-(methylsulfanyl)octyl-thiohydroximate

Structural Information

Molecular Formula
C9H19NOS2
SMILES
CSCCCCCCCC(=S)NO
InChI
InChI=1S/C9H19NOS2/c1-13-8-6-4-2-3-5-7-9(12)10-11/h11H,2-8H2,1H3,(H,10,12)
InChIKey
VQXIERGSFOQSNS-UHFFFAOYSA-N
Compound name
N-hydroxy-8-methylsulfanyloctanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

221.0908 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09808 148.5
[M+Na]+ 244.08002 152.8
[M-H]- 220.08352 146.3
[M+NH4]+ 239.12462 166.3
[M+K]+ 260.05396 148.1
[M+H-H2O]+ 204.08806 142.4
[M+HCOO]- 266.08900 158.4
[M+CH3COO]- 280.10465 188.2
[M+Na-2H]- 242.06547 147.0
[M]+ 221.09025 150.6
[M]- 221.09135 150.6
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.