CID 3038847

Thiazolidine, 3-(3-(heptylthio)propyl)-, hydrochloride

Structural Information

Molecular Formula
C13H27NS2
SMILES
CCCCCCCSCCCN1CCSC1
InChI
InChI=1S/C13H27NS2/c1-2-3-4-5-6-10-15-11-7-8-14-9-12-16-13-14/h2-13H2,1H3
InChIKey
RNXLQWCKFPALNP-UHFFFAOYSA-N
Compound name
3-(3-heptylsulfanylpropyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.15848 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16576 161.9
[M+Na]+ 284.14770 169.7
[M+NH4]+ 279.19230 170.7
[M+K]+ 300.12164 159.8
[M-H]- 260.15120 163.5
[M+Na-2H]- 282.13315 163.5
[M]+ 261.15793 164.3
[M]- 261.15903 164.3
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.