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]+ 214.16240 149.8
[M+Na]+ 236.14434 153.2
[M-H]- 212.14784 152.0
[M+NH4]+ 231.18894 168.6
[M+K]+ 252.11828 149.9
[M+H-H2O]+ 196.15238 143.1
[M+HCOO]- 258.15332 166.2
[M+CH3COO]- 272.16897 189.8
[M+Na-2H]- 234.12979 151.6
[M]+ 213.15457 149.4
[M]- 213.15567 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.