CID 10154129

2-chloro-5-aminomethylthiazole

Structural Information

Molecular Formula

C₄H₅ClN₂S

SMILES

C1=C(SC(=N1)Cl)CN

InChI

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

InChIKey

KCDQBIMJBRASQE-UHFFFAOYSA-N

Compound name

(2-chloro-1,3-thiazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 309
Patents: 147.98619 Da
Monoisotopic Mass: 0.8
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]+	148.993466	125.1
[M+Na]+	170.975408	135.7
[M-H]-	146.978914	127.8
[M+NH4]+	166.020013	148.1
[M+K]+	186.949348	132.1
[M+H-H2O]+	130.983450	120.3
[M+HCOO]-	192.984391	141.1
[M+CH3COO]-	207.000041	172.0
[M+Na-2H]-	168.960856	128.0
[M]+	147.98564142	126.9
[M]-	147.98673858	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe