CID 12841472

8-amino-1-octanethiol hydrochloride

Structural Information

Molecular Formula
C8H19NS
SMILES
C(CCCCS)CCCN
InChI
InChI=1S/C8H19NS/c9-7-5-3-1-2-4-6-8-10/h10H,1-9H2
InChIKey
BWUPKMHSAHUZGN-UHFFFAOYSA-N
Compound name
8-aminooctane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

576
Patents

161.12383 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.131106 137.2
[M+Na]+ 184.113048 142.7
[M-H]- 160.116554 136.6
[M+NH4]+ 179.157653 158.1
[M+K]+ 200.086988 140.4
[M+H-H2O]+ 144.121090 131.6
[M+HCOO]- 206.122031 155.1
[M+CH3COO]- 220.137681 181.3
[M+Na-2H]- 182.098496 138.8
[M]+ 161.12328142 139.4
[M]- 161.12437858 139.4
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