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

1
Patents

189.15512 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.162396 147.3
[M+Na]+ 212.144338 151.6
[M-H]- 188.147844 148.6
[M+NH4]+ 207.188943 168.0
[M+K]+ 228.118278 151.5
[M+H-H2O]+ 172.152380 141.3
[M+HCOO]- 234.153321 163.5
[M+CH3COO]- 248.168971 193.2
[M+Na-2H]- 210.129786 146.0
[M]+ 189.15457142 151.3
[M]- 189.15566858 151.3
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