CID 24837927

Ethanethiol, 2-((4-(1-cyclohexenyl)butyl)amino)-, hydrogen sulfate

Structural Information

Molecular Formula
C12H23NS
SMILES
C1CCC(=CC1)CCCCNCCS
InChI
InChI=1S/C12H23NS/c14-11-10-13-9-5-4-8-12-6-2-1-3-7-12/h6,13-14H,1-5,7-11H2
InChIKey
UUNCCMMRFDWTKB-UHFFFAOYSA-N
Compound name
2-[4-(cyclohexen-1-yl)butylamino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.15512 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.162396 149.8
[M+Na]+ 236.144338 153.2
[M-H]- 212.147844 152.0
[M+NH4]+ 231.188943 168.6
[M+K]+ 252.118278 149.9
[M+H-H2O]+ 196.152380 143.1
[M+HCOO]- 258.153321 166.2
[M+CH3COO]- 272.168971 189.8
[M+Na-2H]- 234.129786 151.6
[M]+ 213.15457142 149.4
[M]- 213.15566858 149.4
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.