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

27
Patents

145.09251 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 130.1
[M+Na]+ 168.081728 135.4
[M-H]- 144.085234 132.7
[M+NH4]+ 163.126333 151.6
[M+K]+ 184.055668 133.3
[M+H-H2O]+ 128.089770 124.7
[M+HCOO]- 190.090711 145.9
[M+CH3COO]- 204.106361 175.5
[M+Na-2H]- 166.067176 131.6
[M]+ 145.09196142 125.8
[M]- 145.09305858 125.8
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