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 146.9
[M+Na]+ 176.05044 156.4
[M-H]- 152.05394 149.7
[M+NH4]+ 171.09504 161.7
[M+K]+ 192.02438 154.9
[M+H-H2O]+ 136.05848 133.6
[M+HCOO]- 198.05942 154.1
[M+CH3COO]- 212.07507 208.9
[M+Na-2H]- 174.03589 147.0
[M]+ 153.06067 141.2
[M]- 153.06177 141.2
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