CID 17749931

85508-99-2

Structural Information

Molecular Formula

C₄H₅BrN₂S

SMILES

CC1=NSC(=C1Br)N

InChI

InChI=1S/C4H5BrN2S/c1-2-3(5)4(6)8-7-2/h6H2,1H3

InChIKey

IICJMPBBIYDDKJ-UHFFFAOYSA-N

Compound name

4-bromo-3-methyl-1,2-thiazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 191.93568 Da
Monoisotopic Mass: 1.7
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]+	192.942956	122.7
[M+Na]+	214.924898	137.3
[M-H]-	190.928404	128.6
[M+NH4]+	209.969503	147.0
[M+K]+	230.898838	125.8
[M+H-H2O]+	174.932940	123.0
[M+HCOO]-	236.933881	141.3
[M+CH3COO]-	250.949531	180.0
[M+Na-2H]-	212.910346	127.6
[M]+	191.93513142	141.9
[M]-	191.93622858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe