CID 2784298

37929-27-4

Structural Information

Molecular Formula

C₈H₁₄N₂S

SMILES

CC1=CC(NC(=S)N1C)(C)C

InChI

InChI=1S/C8H14N2S/c1-6-5-8(2,3)9-7(11)10(6)4/h5H,1-4H3,(H,9,11)

InChIKey

PJHIWWBQJWTETG-UHFFFAOYSA-N

Compound name

3,4,6,6-tetramethyl-1H-pyrimidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.08777 Da
Monoisotopic Mass: 1.1
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]+	171.09505	138.3
[M+Na]+	193.07699	150.3
[M+NH4]+	188.12159	148.1
[M+K]+	209.05093	140.4
[M-H]-	169.08049	139.3
[M+Na-2H]-	191.06244	143.9
[M]+	170.08722	140.9
[M]-	170.08832	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.