CID 3038837

Thiazolidine, 3-(2-(heptylthio)ethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₅NS₂

SMILES

CCCCCCCSCCN1CCSC1

InChI

InChI=1S/C12H25NS2/c1-2-3-4-5-6-9-14-10-7-13-8-11-15-12-13/h2-12H2,1H3

InChIKey

UPFCWNBHGJODHV-UHFFFAOYSA-N

Compound name

3-(2-heptylsulfanylethyl)-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.14284 Da
Monoisotopic Mass: 4.3
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]+	248.150116	157.0
[M+Na]+	270.132058	162.0
[M-H]-	246.135564	157.8
[M+NH4]+	265.176663	175.8
[M+K]+	286.105998	158.2
[M+H-H2O]+	230.140100	150.4
[M+HCOO]-	292.141041	166.5
[M+CH3COO]-	306.156691	192.5
[M+Na-2H]-	268.117506	153.6
[M]+	247.14229142	159.7
[M]-	247.14338858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.