CID 79924

Brn 1738490

Structural Information

Molecular Formula
C10H23NS
SMILES
CC(C)CN(CCS)CC(C)C
InChI
InChI=1S/C10H23NS/c1-9(2)7-11(5-6-12)8-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKey
ZTEXJPYHNKPYFC-UHFFFAOYSA-N
Compound name
2-[bis(2-methylpropyl)amino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15512 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.16240 147.4
[M+Na]+ 212.14434 155.6
[M+NH4]+ 207.18894 155.9
[M+K]+ 228.11828 148.3
[M-H]- 188.14784 148.2
[M+Na-2H]- 210.12979 149.8
[M]+ 189.15457 149.1
[M]- 189.15567 149.1
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

No patent data available for this compound.