CID 258543

2-(cyclohexylamino)ethanethiol

Structural Information

Molecular Formula
C8H17NS
SMILES
C1CCC(CC1)NCCS
InChI
InChI=1S/C8H17NS/c10-7-6-9-8-4-2-1-3-5-8/h8-10H,1-7H2
InChIKey
HQMCMJWBJSSFFS-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

159.10817 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11545 134.2
[M+Na]+ 182.09739 138.2
[M-H]- 158.10089 136.8
[M+NH4]+ 177.14199 155.1
[M+K]+ 198.07133 136.3
[M+H-H2O]+ 142.10543 128.3
[M+HCOO]- 204.10637 150.4
[M+CH3COO]- 218.12202 178.1
[M+Na-2H]- 180.08284 137.0
[M]+ 159.10762 130.9
[M]- 159.10872 130.9
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