CID 209863

20640-02-2

Structural Information

Molecular Formula
C8H19NS
SMILES
CC(C)CC(C)NCCS
InChI
InChI=1S/C8H19NS/c1-7(2)6-8(3)9-4-5-10/h7-10H,4-6H2,1-3H3
InChIKey
ZKAJEKZZCIABLF-UHFFFAOYSA-N
Compound name
2-(4-methylpentan-2-ylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.4
[M+Na]+ 184.11305 143.4
[M-H]- 160.11655 138.5
[M+NH4]+ 179.15765 159.5
[M+K]+ 200.08699 142.4
[M+H-H2O]+ 144.12109 132.9
[M+HCOO]- 206.12203 154.8
[M+CH3COO]- 220.13768 183.6
[M+Na-2H]- 182.09850 138.7
[M]+ 161.12328 140.3
[M]- 161.12438 140.3
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.