CID 3038871

Thiazolidine, 3-(6-(butylthio)hexyl)-, hydrochloride

Structural Information

Molecular Formula
C13H27NS2
SMILES
CCCCSCCCCCCN1CCSC1
InChI
InChI=1S/C13H27NS2/c1-2-3-10-15-11-7-5-4-6-8-14-9-12-16-13-14/h2-13H2,1H3
InChIKey
HDXYMOFJXPPLMR-UHFFFAOYSA-N
Compound name
3-(6-butylsulfanylhexyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.15848 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.165756 161.1
[M+Na]+ 284.147698 165.7
[M-H]- 260.151204 161.7
[M+NH4]+ 279.192303 179.3
[M+K]+ 300.121638 161.6
[M+H-H2O]+ 244.155740 154.3
[M+HCOO]- 306.156681 170.3
[M+CH3COO]- 320.172331 195.4
[M+Na-2H]- 282.133146 157.2
[M]+ 261.15793142 164.2
[M]- 261.15902858 164.2
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.