CID 3038835

3-(2-(hexylthio)ethyl)thiazolidine hydrochloride

Structural Information

Molecular Formula
C11H23NS2
SMILES
CCCCCCSCCN1CCSC1
InChI
InChI=1S/C11H23NS2/c1-2-3-4-5-8-13-9-6-12-7-10-14-11-12/h2-11H2,1H3
InChIKey
ZJPFHCSBXNOYJF-UHFFFAOYSA-N
Compound name
3-(2-hexylsulfanylethyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1272 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13448 152.9
[M+Na]+ 256.11642 158.4
[M-H]- 232.11992 153.9
[M+NH4]+ 251.16102 172.3
[M+K]+ 272.09036 154.8
[M+H-H2O]+ 216.12446 146.5
[M+HCOO]- 278.12540 162.7
[M+CH3COO]- 292.14105 189.6
[M+Na-2H]- 254.10187 149.9
[M]+ 233.12665 155.3
[M]- 233.12775 155.3
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.