CID 25202476

4-methylthiobutylthiohydroximate

Structural Information

Molecular Formula
C5H11NOS2
SMILES
CSCCCC(=S)NO
InChI
InChI=1S/C5H11NOS2/c1-9-4-2-3-5(8)6-7/h7H,2-4H2,1H3,(H,6,8)
InChIKey
LQVOUPXXRIMQIM-UHFFFAOYSA-N
Compound name
N-hydroxy-4-methylsulfanylbutanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

165.02821 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.03549 132.0
[M+Na]+ 188.01743 138.0
[M-H]- 164.02093 130.5
[M+NH4]+ 183.06203 151.9
[M+K]+ 203.99137 134.2
[M+H-H2O]+ 148.02547 126.6
[M+HCOO]- 210.02641 143.1
[M+CH3COO]- 224.04206 176.4
[M+Na-2H]- 186.00288 132.2
[M]+ 165.02766 132.6
[M]- 165.02876 132.6
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

patents stripe