CID 44237183

(e)-n-hydroxy-5-(methylsulfanyl)pentimidothioate

Structural Information

Molecular Formula
C6H13NOS2
SMILES
CSCCCCC(=S)NO
InChI
InChI=1S/C6H13NOS2/c1-10-5-3-2-4-6(9)7-8/h8H,2-5H2,1H3,(H,7,9)
InChIKey
UDHXDZYDFAVOEH-UHFFFAOYSA-N
Compound name
N-hydroxy-5-methylsulfanylpentanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

179.04385 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05113 137.7
[M+Na]+ 202.03307 145.0
[M+NH4]+ 197.07767 145.6
[M+K]+ 218.00701 136.5
[M-H]- 178.03657 137.4
[M+Na-2H]- 200.01852 139.0
[M]+ 179.04330 139.3
[M]- 179.04440 139.3
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.