CID 33780

Trans-2-(2-chlorocyclohexyldithio)ethylamine hydrochloride

Structural Information

Molecular Formula
C8H16ClNS2
SMILES
C1CC[C@H]([C@@H](C1)SSCCN)Cl
InChI
InChI=1S/C8H16ClNS2/c9-7-3-1-2-4-8(7)12-11-6-5-10/h7-8H,1-6,10H2/t7-,8-/m1/s1
InChIKey
KBODCMOCRHUXLF-HTQZYQBOSA-N
Compound name
2-[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.04128 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.04856 144.1
[M+Na]+ 248.03050 149.4
[M-H]- 224.03400 146.0
[M+NH4]+ 243.07510 163.2
[M+K]+ 264.00444 143.9
[M+H-H2O]+ 208.03854 139.5
[M+HCOO]- 270.03948 149.3
[M+CH3COO]- 284.05513 187.1
[M+Na-2H]- 246.01595 142.8
[M]+ 225.04073 142.6
[M]- 225.04183 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.