CID 373845

Nsc650808

Structural Information

Molecular Formula

C₁₅H₃₀S₅

SMILES

C1CSCCCSCCCSCCCSCCCSC1

InChI

InChI=1S/C15H30S5/c1-6-16-8-2-10-18-12-4-14-20-15-5-13-19-11-3-9-17-7-1/h1-15H2

InChIKey

IHZRZROGHCHTMN-UHFFFAOYSA-N

Compound name

1,5,9,13,17-pentathiacycloicosane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 370.0951 Da
Monoisotopic Mass: 5.0
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]+	371.10238	183.0
[M+Na]+	393.08432	183.7
[M-H]-	369.08782	180.0
[M+NH4]+	388.12892	191.0
[M+K]+	409.05826	175.4
[M+H-H2O]+	353.09236	181.1
[M+HCOO]-	415.09330	170.2
[M+CH3COO]-	429.10895	185.0
[M+Na-2H]-	391.06977	179.8
[M]+	370.09455	164.0
[M]-	370.09565	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.