CID 56806535

3-(ethylsulfanyl)cyclopentan-1-amine

Structural Information

Molecular Formula
C7H15NS
SMILES
CCSC1CCC(C1)N
InChI
InChI=1S/C7H15NS/c1-2-9-7-4-3-6(8)5-7/h6-7H,2-5,8H2,1H3
InChIKey
NSNGAXYXFQFJHD-UHFFFAOYSA-N
Compound name
3-ethylsulfanylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

145.09251 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09979 131.5
[M+Na]+ 168.08173 138.1
[M-H]- 144.08523 134.5
[M+NH4]+ 163.12633 155.0
[M+K]+ 184.05567 136.1
[M+H-H2O]+ 128.08977 126.4
[M+HCOO]- 190.09071 149.5
[M+CH3COO]- 204.10636 175.3
[M+Na-2H]- 166.06718 131.7
[M]+ 145.09196 129.5
[M]- 145.09306 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