CID 2376106

4-(chloromethyl)-n-(2-methylphenyl)-1,3-thiazol-2-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂S

SMILES

CC1=CC=CC=C1NC2=NC(=CS2)CCl

InChI

InChI=1S/C11H11ClN2S/c1-8-4-2-3-5-10(8)14-11-13-9(6-12)7-15-11/h2-5,7H,6H2,1H3,(H,13,14)

InChIKey

CNFFSJCIPKONEN-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 238.03314 Da
Monoisotopic Mass: 3.6
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]+	239.040416	149.7
[M+Na]+	261.022358	160.0
[M-H]-	237.025864	155.9
[M+NH4]+	256.066963	169.5
[M+K]+	276.996298	154.2
[M+H-H2O]+	221.030400	143.4
[M+HCOO]-	283.031341	165.9
[M+CH3COO]-	297.046991	163.0
[M+Na-2H]-	259.007806	152.1
[M]+	238.03259142	153.4
[M]-	238.03368858	153.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.