CID 3034347

2(1h)-pyrimidinethione, tetrahydro-1-methyl-

Structural Information

Molecular Formula

C₅H₁₀N₂S

SMILES

CN1CCCNC1=S

InChI

InChI=1S/C5H10N2S/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)

InChIKey

KWRGMBARTDLYSH-UHFFFAOYSA-N

Compound name

1-methyl-1,3-diazinane-2-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 32
Patents: 130.05647 Da
Monoisotopic Mass: 0.3
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]+	131.063746	125.6
[M+Na]+	153.045688	132.8
[M-H]-	129.049194	124.9
[M+NH4]+	148.090293	144.9
[M+K]+	169.019628	130.0
[M+H-H2O]+	113.053730	119.6
[M+HCOO]-	175.054671	137.9
[M+CH3COO]-	189.070321	167.2
[M+Na-2H]-	151.031136	128.1
[M]+	130.05592142	120.8
[M]-	130.05701858	120.8

Literature stripe

literature stripe

Patent stripe

patents stripe