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

6
Patents

145.09251 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09979 131.8
[M+Na]+ 168.08173 137.5
[M-H]- 144.08523 134.4
[M+NH4]+ 163.12633 154.9
[M+K]+ 184.05567 135.6
[M+H-H2O]+ 128.08977 126.3
[M+HCOO]- 190.09071 149.8
[M+CH3COO]- 204.10636 174.2
[M+Na-2H]- 166.06718 132.6
[M]+ 145.09196 129.4
[M]- 145.09306 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