CID 97986

6950-81-8

Structural Information

Molecular Formula

C₁₀H₁₉NS

SMILES

CCC1=NC(SC1C)(CC)CC

InChI

InChI=1S/C10H19NS/c1-5-9-8(4)12-10(6-2,7-3)11-9/h8H,5-7H2,1-4H3

InChIKey

RBPQBRBFZYKGOQ-UHFFFAOYSA-N

Compound name

2,2,4-triethyl-5-methyl-5H-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 185.12383 Da
Monoisotopic Mass: 3.0
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]+	186.131106	139.5
[M+Na]+	208.113048	148.5
[M-H]-	184.116554	142.2
[M+NH4]+	203.157653	163.2
[M+K]+	224.086988	146.4
[M+H-H2O]+	168.121090	134.7
[M+HCOO]-	230.122031	156.5
[M+CH3COO]-	244.137681	183.2
[M+Na-2H]-	206.098496	140.5
[M]+	185.12328142	143.0
[M]-	185.12437858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe