CID 3058772

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

Structural Information

Molecular Formula
C10H15NS
SMILES
CC#CCN(CCS)CC#CC
InChI
InChI=1S/C10H15NS/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,7-10H2,1-2H3
InChIKey
LRXFPXRZILGPCW-UHFFFAOYSA-N
Compound name
2-[bis(but-2-ynyl)amino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09251 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09979 156.0
[M+Na]+ 204.08173 163.3
[M+NH4]+ 199.12633 157.0
[M+K]+ 220.05567 152.3
[M-H]- 180.08523 144.9
[M+Na-2H]- 202.06718 153.9
[M]+ 181.09196 152.9
[M]- 181.09306 152.9
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.