CID 3038877

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

Structural Information

Molecular Formula

C₁₆H₃₃NS₂

SMILES

CCCCCCCSCCCCCCN1CCSC1

InChI

InChI=1S/C16H33NS2/c1-2-3-4-6-9-13-18-14-10-7-5-8-11-17-12-15-19-16-17/h2-16H2,1H3

InChIKey

RCDPNFQVTRPUDQ-UHFFFAOYSA-N

Compound name

3-(6-heptylsulfanylhexyl)-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.20544 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	304.212716	173.2
[M+Na]+	326.194658	176.5
[M-H]-	302.198164	173.2
[M+NH4]+	321.239263	189.8
[M+K]+	342.168598	171.7
[M+H-H2O]+	286.202700	165.9
[M+HCOO]-	348.203641	181.5
[M+CH3COO]-	362.219291	204.2
[M+Na-2H]-	324.180106	168.1
[M]+	303.20489142	177.3
[M]-	303.20598858	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.