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]+ 172.11545 138.8
[M+Na]+ 194.09739 146.9
[M-H]- 170.10089 140.2
[M+NH4]+ 189.14199 158.2
[M+K]+ 210.07133 145.7
[M+H-H2O]+ 154.10543 127.4
[M+HCOO]- 216.10637 152.5
[M+CH3COO]- 230.12202 194.4
[M+Na-2H]- 192.08284 140.3
[M]+ 171.10762 137.7
[M]- 171.10872 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.