CID 62808674

4-(methylsulfanyl)cyclohexan-1-amine

Structural Information

Molecular Formula
C7H15NS
SMILES
CSC1CCC(CC1)N
InChI
InChI=1S/C7H15NS/c1-9-7-4-2-6(8)3-5-7/h6-7H,2-5,8H2,1H3
InChIKey
RYTOBWATSBGTFT-UHFFFAOYSA-N
Compound name
4-methylsulfanylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

145.09251 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09979 129.8
[M+Na]+ 168.08173 139.6
[M+NH4]+ 163.12633 139.8
[M+K]+ 184.05567 131.4
[M-H]- 144.08523 133.0
[M+Na-2H]- 166.06718 134.6
[M]+ 145.09196 132.4
[M]- 145.09306 132.4
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

patents stripe