CID 3047075

Brn 0520483

Structural Information

Molecular Formula

C₁₃H₂₅NS₃

SMILES

CCCCCCCCCCN1CCSSC1=S

InChI

InChI=1S/C13H25NS3/c1-2-3-4-5-6-7-8-9-10-14-11-12-16-17-13(14)15/h2-12H2,1H3

InChIKey

UWXBDDGKJGEGDU-UHFFFAOYSA-N

Compound name

4-decyl-1,2,4-dithiazinane-3-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 291.1149 Da
Monoisotopic Mass: 5.6
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]+	292.12218	161.1
[M+Na]+	314.10412	165.0
[M-H]-	290.10762	160.5
[M+NH4]+	309.14872	175.7
[M+K]+	330.07806	157.9
[M+H-H2O]+	274.11216	154.2
[M+HCOO]-	336.11310	162.2
[M+CH3COO]-	350.12875	201.1
[M+Na-2H]-	312.08957	157.3
[M]+	291.11435	160.5
[M]-	291.11545	160.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.