CID 111102

2-(diisopropylamino)ethanethiol

Structural Information

Molecular Formula
C8H19NS
SMILES
CC(C)N(CCS)C(C)C
InChI
InChI=1S/C8H19NS/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3
InChIKey
IFZVKYXDCOHPOT-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yl)amino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

169
Patents

161.12383 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.13111 138.2
[M+Na]+ 184.11305 143.3
[M-H]- 160.11655 139.8
[M+NH4]+ 179.15765 160.0
[M+K]+ 200.08699 143.8
[M+H-H2O]+ 144.12109 132.6
[M+HCOO]- 206.12203 155.0
[M+CH3COO]- 220.13768 187.2
[M+Na-2H]- 182.09850 137.9
[M]+ 161.12328 141.4
[M]- 161.12438 141.4
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