CID 12841471

6-amino-1-hexanethiol hydrochloride

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

1037
Patents

133.09251 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.099786 128.4
[M+Na]+ 156.081728 134.8
[M-H]- 132.085234 128.2
[M+NH4]+ 151.126333 150.5
[M+K]+ 172.055668 133.0
[M+H-H2O]+ 116.089770 123.3
[M+HCOO]- 178.090711 146.9
[M+CH3COO]- 192.106361 175.2
[M+Na-2H]- 154.067176 131.0
[M]+ 133.09196142 129.8
[M]- 133.09305858 129.8
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