CID 217526

2-((2-cyclohexylbutyl)amino)ethanethiol hydrochloride

Structural Information

Molecular Formula
C12H25NS
SMILES
CCC(CNCCS)C1CCCCC1
InChI
InChI=1S/C12H25NS/c1-2-11(10-13-8-9-14)12-6-4-3-5-7-12/h11-14H,2-10H2,1H3
InChIKey
ANHSXGJBOHORLF-UHFFFAOYSA-N
Compound name
2-(2-cyclohexylbutylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.17078 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17806 152.4
[M+Na]+ 238.16000 154.4
[M-H]- 214.16350 154.2
[M+NH4]+ 233.20460 170.9
[M+K]+ 254.13394 151.9
[M+H-H2O]+ 198.16804 145.8
[M+HCOO]- 260.16898 166.1
[M+CH3COO]- 274.18463 191.0
[M+Na-2H]- 236.14545 152.0
[M]+ 215.17023 149.9
[M]- 215.17133 149.9
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.