CID 200689

2519-93-9

Structural Information

Molecular Formula

C₁₀H₁₁NOS

SMILES

COC1=CC=C(C=C1)C2=NCCS2

InChI

InChI=1S/C10H11NOS/c1-12-9-4-2-8(3-5-9)10-11-6-7-13-10/h2-5H,6-7H2,1H3

InChIKey

LTOAZVNWZFZUCE-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 193.05614 Da
Monoisotopic Mass: 2.0
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]+	194.063416	139.4
[M+Na]+	216.045358	148.4
[M-H]-	192.048864	145.4
[M+NH4]+	211.089963	160.1
[M+K]+	232.019298	145.6
[M+H-H2O]+	176.053400	132.8
[M+HCOO]-	238.054341	158.5
[M+CH3COO]-	252.069991	153.2
[M+Na-2H]-	214.030806	142.0
[M]+	193.05559142	141.3
[M]-	193.05668858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe