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

69
Patents

189.15512 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.16240 146.3
[M+Na]+ 212.14434 151.2
[M-H]- 188.14784 147.5
[M+NH4]+ 207.18894 167.2
[M+K]+ 228.11828 150.2
[M+H-H2O]+ 172.15238 140.2
[M+HCOO]- 234.15332 164.7
[M+CH3COO]- 248.16897 191.6
[M+Na-2H]- 210.12979 147.3
[M]+ 189.15457 151.6
[M]- 189.15567 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