CID 145867381

(but-3-yn-1-yl)(ethyl)[2-(methylsulfanyl)ethyl]amine hydrochloride

Structural Information

Molecular Formula
C9H17NS
SMILES
CCN(CCC#C)CCSC
InChI
InChI=1S/C9H17NS/c1-4-6-7-10(5-2)8-9-11-3/h1H,5-9H2,2-3H3
InChIKey
ALUPOLMYUXFMJB-UHFFFAOYSA-N
Compound name
N-ethyl-N-(2-methylsulfanylethyl)but-3-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.10817 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.115446 138.8
[M+Na]+ 194.097388 146.9
[M-H]- 170.100894 140.2
[M+NH4]+ 189.141993 158.2
[M+K]+ 210.071328 145.7
[M+H-H2O]+ 154.105430 127.4
[M+HCOO]- 216.106371 152.5
[M+CH3COO]- 230.122021 194.4
[M+Na-2H]- 192.082836 140.3
[M]+ 171.10762142 137.7
[M]- 171.10871858 137.7
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

No patent data available for this compound.