CID 207807

2(1h)-pyrimidinethione, tetrahydro-1,3-dipropyl-

Structural Information

Molecular Formula

C₁₀H₂₀N₂S

SMILES

CCCN1CCCN(C1=S)CCC

InChI

InChI=1S/C10H20N2S/c1-3-6-11-8-5-9-12(7-4-2)10(11)13/h3-9H2,1-2H3

InChIKey

FWTLMXBRDIEOJQ-UHFFFAOYSA-N

Compound name

1,3-dipropyl-1,3-diazinane-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.13472 Da
Monoisotopic Mass: 2.8
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]+	201.14200	146.2
[M+Na]+	223.12394	152.5
[M-H]-	199.12744	146.3
[M+NH4]+	218.16854	163.7
[M+K]+	239.09788	149.4
[M+H-H2O]+	183.13198	139.2
[M+HCOO]-	245.13292	158.4
[M+CH3COO]-	259.14857	186.1
[M+Na-2H]-	221.10939	146.0
[M]+	200.13417	145.4
[M]-	200.13527	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe