CID 23401603

1258649-87-4

Structural Information

Molecular Formula
C7H15NS
SMILES
C1CCC(C1)SCCN
InChI
InChI=1S/C7H15NS/c8-5-6-9-7-3-1-2-4-7/h7H,1-6,8H2
InChIKey
WUBBSMWTJGXZFI-UHFFFAOYSA-N
Compound name
2-cyclopentylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

145.09251 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 131.8
[M+Na]+ 168.081728 137.5
[M-H]- 144.085234 134.4
[M+NH4]+ 163.126333 154.9
[M+K]+ 184.055668 135.6
[M+H-H2O]+ 128.089770 126.3
[M+HCOO]- 190.090711 149.8
[M+CH3COO]- 204.106361 174.2
[M+Na-2H]- 166.067176 132.6
[M]+ 145.09196142 129.4
[M]- 145.09305858 129.4
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