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 136.1
[M+Na]+ 202.03307 141.7
[M-H]- 178.03657 134.5
[M+NH4]+ 197.07767 155.5
[M+K]+ 218.00701 137.7
[M+H-H2O]+ 162.04111 130.5
[M+HCOO]- 224.04205 147.0
[M+CH3COO]- 238.05770 179.4
[M+Na-2H]- 200.01852 135.9
[M]+ 179.04330 137.2
[M]- 179.04440 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.