CID 211414

23062-75-1

Structural Information

Molecular Formula

C₁₀H₁₁NS

SMILES

CC1CN=C(S1)C2=CC=CC=C2

InChI

InChI=1S/C10H11NS/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3

InChIKey

ICCYFBRBECDTKG-UHFFFAOYSA-N

Compound name

5-methyl-2-phenyl-4,5-dihydro-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.06122 Da
Monoisotopic Mass: 2.4
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]+	178.06850	136.6
[M+Na]+	200.05044	150.1
[M+NH4]+	195.09504	147.1
[M+K]+	216.02438	142.1
[M-H]-	176.05394	141.2
[M+Na-2H]-	198.03589	144.9
[M]+	177.06067	140.4
[M]-	177.06177	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe