CID 14364693

Hexanethioamide

Structural Information

Molecular Formula
C6H13NS
SMILES
CCCCCC(=S)N
InChI
InChI=1S/C6H13NS/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)
InChIKey
SDELOLXCTBXEAW-UHFFFAOYSA-N
Compound name
hexanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

131.07687 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.084146 128.1
[M+Na]+ 154.066088 134.5
[M-H]- 130.069594 128.0
[M+NH4]+ 149.110693 150.1
[M+K]+ 170.040028 132.6
[M+H-H2O]+ 114.074130 123.1
[M+HCOO]- 176.075071 145.8
[M+CH3COO]- 190.090721 175.1
[M+Na-2H]- 152.051536 129.6
[M]+ 131.07632142 128.2
[M]- 131.07741858 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe