CID 79922

2-(dipropylamino)ethanethiol

Structural Information

Molecular Formula
C8H19NS
SMILES
CCCN(CCC)CCS
InChI
InChI=1S/C8H19NS/c1-3-5-9(6-4-2)7-8-10/h10H,3-8H2,1-2H3
InChIKey
YYXYWIASFOLDSO-UHFFFAOYSA-N
Compound name
2-(dipropylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

161.12383 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.131106 137.4
[M+Na]+ 184.113048 143.1
[M-H]- 160.116554 138.9
[M+NH4]+ 179.157653 159.3
[M+K]+ 200.086988 142.6
[M+H-H2O]+ 144.121090 131.6
[M+HCOO]- 206.122031 156.4
[M+CH3COO]- 220.137681 185.6
[M+Na-2H]- 182.098496 139.4
[M]+ 161.12328142 141.9
[M]- 161.12437858 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe