CID 120772

2-heptylthiazolidine

Structural Information

Molecular Formula

C₁₀H₂₁NS

SMILES

CCCCCCCC1NCCS1

InChI

InChI=1S/C10H21NS/c1-2-3-4-5-6-7-10-11-8-9-12-10/h10-11H,2-9H2,1H3

InChIKey

FLUFGKPXTPJANY-UHFFFAOYSA-N

Compound name

2-heptyl-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 187.13947 Da
Monoisotopic Mass: 3.8
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]+	188.14675	145.3
[M+Na]+	210.12869	150.3
[M-H]-	186.13219	145.2
[M+NH4]+	205.17329	165.5
[M+K]+	226.10263	147.3
[M+H-H2O]+	170.13673	139.1
[M+HCOO]-	232.13767	159.4
[M+CH3COO]-	246.15332	179.2
[M+Na-2H]-	208.11414	144.6
[M]+	187.13892	144.4
[M]-	187.14002	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe