CID 73229

4-chloromethylthiazol-2-ylamine

Structural Information

Molecular Formula

C₄H₅ClN₂S

SMILES

C1=C(N=C(S1)N)CCl

InChI

InChI=1S/C4H5ClN2S/c5-1-3-2-8-4(6)7-3/h2H,1H2,(H2,6,7)

InChIKey

QYKUGBMFPFOPNE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1562
Patents: 147.98619 Da
Monoisotopic Mass: 1.0
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]+	148.99347	125.1
[M+Na]+	170.97541	135.7
[M-H]-	146.97891	127.8
[M+NH4]+	166.02001	148.1
[M+K]+	186.94935	132.1
[M+H-H2O]+	130.98345	120.3
[M+HCOO]-	192.98439	141.1
[M+CH3COO]-	207.00004	172.0
[M+Na-2H]-	168.96086	128.0
[M]+	147.98564	126.9
[M]-	147.98674	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe