CID 207806

30826-86-9

Structural Information

Molecular Formula

C₈H₁₆N₂S

SMILES

CCN1CCCN(C1=S)CC

InChI

InChI=1S/C8H16N2S/c1-3-9-6-5-7-10(4-2)8(9)11/h3-7H2,1-2H3

InChIKey

GDRJMQGTCMCJQV-UHFFFAOYSA-N

Compound name

1,3-diethyl-1,3-diazinane-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 172.10342 Da
Monoisotopic Mass: 1.8
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]+	173.110696	137.5
[M+Na]+	195.092638	144.7
[M-H]-	171.096144	138.1
[M+NH4]+	190.137243	156.2
[M+K]+	211.066578	142.1
[M+H-H2O]+	155.100680	130.9
[M+HCOO]-	217.101621	150.4
[M+CH3COO]-	231.117271	180.0
[M+Na-2H]-	193.078086	138.3
[M]+	172.10287142	136.1
[M]-	172.10396858	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe