CID 12841471

31098-40-5

Structural Information

Molecular Formula
C6H15NS
SMILES
C(CCCS)CCN
InChI
InChI=1S/C6H15NS/c7-5-3-1-2-4-6-8/h8H,1-7H2
InChIKey
WYYXDSQOPIGZPU-UHFFFAOYSA-N
Compound name
6-aminohexane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1069
Patents

133.09251 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09979 128.5
[M+Na]+ 156.08173 137.8
[M+NH4]+ 151.12633 137.6
[M+K]+ 172.05567 129.6
[M-H]- 132.08523 129.5
[M+Na-2H]- 154.06718 132.0
[M]+ 133.09196 130.4
[M]- 133.09306 130.4
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