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]+ 182.099786 152.8
[M+Na]+ 204.081728 161.8
[M-H]- 180.085234 155.4
[M+NH4]+ 199.126333 167.0
[M+K]+ 220.055668 159.9
[M+H-H2O]+ 164.089770 139.2
[M+HCOO]- 226.090711 159.6
[M+CH3COO]- 240.106361 211.9
[M+Na-2H]- 202.067176 152.2
[M]+ 181.09196142 147.4
[M]- 181.09305858 147.4
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.