CID 3058771

Ethanethiol, 2-(di(2-propynyl)amino)-

Structural Information

Molecular Formula
C8H11NS
SMILES
C#CCN(CCS)CC#C
InChI
InChI=1S/C8H11NS/c1-3-5-9(6-4-2)7-8-10/h1-2,10H,5-8H2
InChIKey
AIJJDLUUZFCWAI-UHFFFAOYSA-N
Compound name
2-[bis(prop-2-ynyl)amino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

153.06122 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06850 150.3
[M+Na]+ 176.05044 157.9
[M+NH4]+ 171.09504 151.6
[M+K]+ 192.02438 147.2
[M-H]- 152.05394 139.3
[M+Na-2H]- 174.03589 148.6
[M]+ 153.06067 147.3
[M]- 153.06177 147.3
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