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]+ 162.131106 138.4
[M+Na]+ 184.113048 143.4
[M-H]- 160.116554 138.5
[M+NH4]+ 179.157653 159.5
[M+K]+ 200.086988 142.4
[M+H-H2O]+ 144.121090 132.9
[M+HCOO]- 206.122031 154.8
[M+CH3COO]- 220.137681 183.6
[M+Na-2H]- 182.098496 138.7
[M]+ 161.12328142 140.3
[M]- 161.12437858 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.