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	135.7
[M+Na]+	200.05044	144.8
[M-H]-	176.05394	141.7
[M+NH4]+	195.09504	157.2
[M+K]+	216.02438	141.6
[M+H-H2O]+	160.05848	129.3
[M+HCOO]-	222.05942	154.6
[M+CH3COO]-	236.07507	149.7
[M+Na-2H]-	198.03589	138.2
[M]+	177.06067	136.2
[M]-	177.06177	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe