CID 64615066

20322-31-0

Structural Information

Molecular Formula
C8H17NS
SMILES
CCSC1CCCCC1N
InChI
InChI=1S/C8H17NS/c1-2-10-8-6-4-3-5-7(8)9/h7-8H,2-6,9H2,1H3
InChIKey
VCJOVLJFAWUNMO-UHFFFAOYSA-N
Compound name
2-ethylsulfanylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

159.10817 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.115446 134.4
[M+Na]+ 182.097388 139.4
[M-H]- 158.100894 136.9
[M+NH4]+ 177.141993 155.4
[M+K]+ 198.071328 137.0
[M+H-H2O]+ 142.105430 128.9
[M+HCOO]- 204.106371 149.9
[M+CH3COO]- 218.122021 178.5
[M+Na-2H]- 180.082836 135.5
[M]+ 159.10762142 130.5
[M]- 159.10871858 130.5
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