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]+ 132.08415 127.1
[M+Na]+ 154.06609 134.1
[M-H]- 130.06959 130.3
[M+NH4]+ 149.11069 151.1
[M+K]+ 170.04003 132.4
[M+H-H2O]+ 114.07413 122.1
[M+HCOO]- 176.07507 145.4
[M+CH3COO]- 190.09072 172.2
[M+Na-2H]- 152.05154 127.8
[M]+ 131.07632 124.7
[M]- 131.07742 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