CID 3038851

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

Structural Information

Molecular Formula
C15H31NS2
SMILES
CCCCCCCCCSCCCN1CCSC1
InChI
InChI=1S/C15H31NS2/c1-2-3-4-5-6-7-8-12-17-13-9-10-16-11-14-18-15-16/h2-15H2,1H3
InChIKey
FUMINBXCNMGPNX-UHFFFAOYSA-N
Compound name
3-(3-nonylsulfanylpropyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1898 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19708 169.2
[M+Na]+ 312.17902 172.9
[M-H]- 288.18252 169.4
[M+NH4]+ 307.22362 186.3
[M+K]+ 328.15296 168.3
[M+H-H2O]+ 272.18706 162.1
[M+HCOO]- 334.18800 177.7
[M+CH3COO]- 348.20365 201.3
[M+Na-2H]- 310.16447 164.5
[M]+ 289.18925 173.0
[M]- 289.19035 173.0
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.