CID 3087731

2-nonylthiazolidine

Structural Information

Molecular Formula

C₁₂H₂₅NS

SMILES

CCCCCCCCCC1NCCS1

InChI

InChI=1S/C12H25NS/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h12-13H,2-11H2,1H3

InChIKey

DOTWLKBBHRRWHT-UHFFFAOYSA-N

Compound name

2-nonyl-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 215.17078 Da
Monoisotopic Mass: 4.9
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]+	216.17806	154.0
[M+Na]+	238.16000	158.1
[M-H]-	214.16350	153.4
[M+NH4]+	233.20460	173.0
[M+K]+	254.13394	154.5
[M+H-H2O]+	198.16804	147.3
[M+HCOO]-	260.16898	167.4
[M+CH3COO]-	274.18463	185.2
[M+Na-2H]-	236.14545	152.2
[M]+	215.17023	153.8
[M]-	215.17133	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe