CID 3038845

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

Structural Information

Molecular Formula
C12H25NS2
SMILES
CCCCCCSCCCN1CCSC1
InChI
InChI=1S/C12H25NS2/c1-2-3-4-5-9-14-10-6-7-13-8-11-15-12-13/h2-12H2,1H3
InChIKey
FKCWRXHPVZGXRB-UHFFFAOYSA-N
Compound name
3-(3-hexylsulfanylpropyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.14284 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.15012 157.9
[M+Na]+ 270.13206 165.9
[M+NH4]+ 265.17666 166.8
[M+K]+ 286.10600 156.1
[M-H]- 246.13556 159.4
[M+Na-2H]- 268.11751 159.6
[M]+ 247.14229 160.2
[M]- 247.14339 160.2
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.