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]+ 180.051126 136.1
[M+Na]+ 202.033068 141.7
[M-H]- 178.036574 134.5
[M+NH4]+ 197.077673 155.5
[M+K]+ 218.007008 137.7
[M+H-H2O]+ 162.041110 130.5
[M+HCOO]- 224.042051 147.0
[M+CH3COO]- 238.057701 179.4
[M+Na-2H]- 200.018516 135.9
[M]+ 179.04330142 137.2
[M]- 179.04439858 137.2
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.