CID 820723

1-(thiophen-2-yl)cyclohexan-1-amine

Structural Information

Molecular Formula
C10H15NS
SMILES
C1CCC(CC1)(C2=CC=CS2)N
InChI
InChI=1S/C10H15NS/c11-10(6-2-1-3-7-10)9-5-4-8-12-9/h4-5,8H,1-3,6-7,11H2
InChIKey
UJIKDMHWQDKDPV-UHFFFAOYSA-N
Compound name
1-thiophen-2-ylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

181.09251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.099786 138.9
[M+Na]+ 204.081728 144.9
[M-H]- 180.085234 144.8
[M+NH4]+ 199.126333 162.4
[M+K]+ 220.055668 141.8
[M+H-H2O]+ 164.089770 133.4
[M+HCOO]- 226.090711 156.5
[M+CH3COO]- 240.106361 151.6
[M+Na-2H]- 202.067176 141.3
[M]+ 181.09196142 134.3
[M]- 181.09305858 134.3
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