CID 4314252

2-(methylsulfanyl)cyclopentan-1-amine

Structural Information

Molecular Formula
C6H13NS
SMILES
CSC1CCCC1N
InChI
InChI=1S/C6H13NS/c1-8-6-4-2-3-5(6)7/h5-6H,2-4,7H2,1H3
InChIKey
LYDDFFMJUBFRAW-UHFFFAOYSA-N
Compound name
2-methylsulfanylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

131.07687 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.084146 127.1
[M+Na]+ 154.066088 134.1
[M-H]- 130.069594 130.3
[M+NH4]+ 149.110693 151.1
[M+K]+ 170.040028 132.4
[M+H-H2O]+ 114.074130 122.1
[M+HCOO]- 176.075071 145.4
[M+CH3COO]- 190.090721 172.2
[M+Na-2H]- 152.051536 127.8
[M]+ 131.07632142 124.7
[M]- 131.07741858 124.7
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