CID 533924

1-pentanamine, 5-(methylthio)-

Structural Information

Molecular Formula
C6H15NS
SMILES
CSCCCCCN
InChI
InChI=1S/C6H15NS/c1-8-6-4-2-3-5-7/h2-7H2,1H3
InChIKey
DQIGNVFNKSQHQV-UHFFFAOYSA-N
Compound name
5-methylsulfanylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

133.09251 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09979 128.5
[M+Na]+ 156.08173 137.8
[M+NH4]+ 151.12633 137.6
[M+K]+ 172.05567 129.6
[M-H]- 132.08523 129.5
[M+Na-2H]- 154.06718 132.0
[M]+ 133.09196 130.4
[M]- 133.09306 130.4
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