CID 145867381

2375267-48-2

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 134.4
[M+Na]+ 194.09739 143.8
[M+NH4]+ 189.14199 139.6
[M+K]+ 210.07133 133.2
[M-H]- 170.10089 127.8
[M+Na-2H]- 192.08284 135.6
[M]+ 171.10762 133.4
[M]- 171.10872 133.4
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

No patent data available for this compound.