CID 304044

[2-(butylthio)ethyl]amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

133.09251 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09979 128.4
[M+Na]+ 156.08173 134.8
[M-H]- 132.08523 128.2
[M+NH4]+ 151.12633 150.5
[M+K]+ 172.05567 133.0
[M+H-H2O]+ 116.08977 123.3
[M+HCOO]- 178.09071 146.9
[M+CH3COO]- 192.10636 175.2
[M+Na-2H]- 154.06718 131.0
[M]+ 133.09196 129.8
[M]- 133.09306 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