CID 533924

5-(methylsulfanyl)pentan-1-amine

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

6
Patents

133.09251 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.099786 128.4
[M+Na]+ 156.081728 134.8
[M-H]- 132.085234 128.2
[M+NH4]+ 151.126333 150.5
[M+K]+ 172.055668 133.0
[M+H-H2O]+ 116.089770 123.3
[M+HCOO]- 178.090711 146.9
[M+CH3COO]- 192.106361 175.2
[M+Na-2H]- 154.067176 131.0
[M]+ 133.09196142 129.8
[M]- 133.09305858 129.8
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