CID 204191

15913-44-7

Structural Information

Molecular Formula

C₆H₉ClN₂S

SMILES

CC1=C(SC(=N1)N)CCCl

InChI

InChI=1S/C6H9ClN2S/c1-4-5(2-3-7)10-6(8)9-4/h2-3H2,1H3,(H2,8,9)

InChIKey

QPQCVWCKOPRCAM-UHFFFAOYSA-N

Compound name

5-(2-chloroethyl)-4-methyl-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 176.0175 Da
Monoisotopic Mass: 1.9
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]+	177.024776	134.0
[M+Na]+	199.006718	144.6
[M-H]-	175.010224	136.7
[M+NH4]+	194.051323	156.2
[M+K]+	214.980658	140.4
[M+H-H2O]+	159.014760	129.1
[M+HCOO]-	221.015701	149.3
[M+CH3COO]-	235.031351	179.1
[M+Na-2H]-	196.992166	135.2
[M]+	176.01695142	136.9
[M]-	176.01804858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe