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

2
Patents

153.06122 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 146.9
[M+Na]+ 176.050438 156.4
[M-H]- 152.053944 149.7
[M+NH4]+ 171.095043 161.7
[M+K]+ 192.024378 154.9
[M+H-H2O]+ 136.058480 133.6
[M+HCOO]- 198.059421 154.1
[M+CH3COO]- 212.075071 208.9
[M+Na-2H]- 174.035886 147.0
[M]+ 153.06067142 141.2
[M]- 153.06176858 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