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]+ 262.16576 161.1
[M+Na]+ 284.14770 165.7
[M-H]- 260.15120 161.7
[M+NH4]+ 279.19230 179.3
[M+K]+ 300.12164 161.6
[M+H-H2O]+ 244.15574 154.3
[M+HCOO]- 306.15668 170.3
[M+CH3COO]- 320.17233 195.4
[M+Na-2H]- 282.13315 157.2
[M]+ 261.15793 164.2
[M]- 261.15903 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.