CID 21697983

2172528-27-5

Structural Information

Molecular Formula

C₆H₉ClN₂S

SMILES

CN(C)C1=NC=C(S1)CCl

InChI

InChI=1S/C6H9ClN2S/c1-9(2)6-8-4-5(3-7)10-6/h4H,3H2,1-2H3

InChIKey

VUZSBNYGHZKKIE-UHFFFAOYSA-N

Compound name

5-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 176.0175 Da
Monoisotopic Mass: 1.8
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	134.1
[M+Na]+	199.006718	144.0
[M-H]-	175.010224	138.5
[M+NH4]+	194.051323	156.9
[M+K]+	214.980658	141.6
[M+H-H2O]+	159.014760	128.6
[M+HCOO]-	221.015701	150.5
[M+CH3COO]-	235.031351	182.2
[M+Na-2H]-	196.992166	136.3
[M]+	176.01695142	139.0
[M]-	176.01804858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe