CID 54049186

2-(ethylsulfanyl)cyclopentan-1-amine

Structural Information

Molecular Formula
C7H15NS
SMILES
CCSC1CCCC1N
InChI
InChI=1S/C7H15NS/c1-2-9-7-5-3-4-6(7)8/h6-7H,2-5,8H2,1H3
InChIKey
LRRNYPQOJVXHFH-UHFFFAOYSA-N
Compound name
2-ethylsulfanylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 131.5
[M+Na]+ 168.081728 138.1
[M-H]- 144.085234 134.5
[M+NH4]+ 163.126333 155.0
[M+K]+ 184.055668 136.1
[M+H-H2O]+ 128.089770 126.4
[M+HCOO]- 190.090711 149.5
[M+CH3COO]- 204.106361 175.3
[M+Na-2H]- 166.067176 131.7
[M]+ 145.09196142 129.5
[M]- 145.09305858 129.5
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