CID 12954373

2-amino-5-bromo-4-methylthiazole

Structural Information

Molecular Formula

C₄H₅BrN₂S

SMILES

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

InChI

InChI=1S/C4H5BrN2S/c1-2-3(5)8-4(6)7-2/h1H3,(H2,6,7)

InChIKey

XZYIDZIGJVUTKE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 191.93568 Da
Monoisotopic Mass: 2.0
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]+	192.94296	125.2
[M+Na]+	214.92490	127.3
[M+NH4]+	209.96950	130.8
[M+K]+	230.89884	128.1
[M-H]-	190.92840	125.8
[M+Na-2H]-	212.91035	127.8
[M]+	191.93513	124.7
[M]-	191.93623	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe