CID 79923

2-(dibutylamino)ethanethiol

Structural Information

Molecular Formula
C10H23NS
SMILES
CCCCN(CCCC)CCS
InChI
InChI=1S/C10H23NS/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3
InChIKey
LOJUMTFVTNJLTF-UHFFFAOYSA-N
Compound name
2-(dibutylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

189.15512 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.162396 146.3
[M+Na]+ 212.144338 151.2
[M-H]- 188.147844 147.5
[M+NH4]+ 207.188943 167.2
[M+K]+ 228.118278 150.2
[M+H-H2O]+ 172.152380 140.2
[M+HCOO]- 234.153321 164.7
[M+CH3COO]- 248.168971 191.6
[M+Na-2H]- 210.129786 147.3
[M]+ 189.15457142 151.6
[M]- 189.15566858 151.6
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

patents stripe