CID 45788857

2102409-24-3

Structural Information

Molecular Formula

C₃H₃BrN₂S

SMILES

C1=C(SC(=N1)Br)N

InChI

InChI=1S/C3H3BrN2S/c4-3-6-1-2(5)7-3/h1H,5H2

InChIKey

WENPEUMWCGMXKL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 177.92003 Da
Monoisotopic Mass: 1.6
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]+	178.92731	118.5
[M+Na]+	200.90925	132.7
[M-H]-	176.91275	124.3
[M+NH4]+	195.95385	143.1
[M+K]+	216.88319	121.6
[M+H-H2O]+	160.91729	118.8
[M+HCOO]-	222.91823	137.5
[M+CH3COO]-	236.93388	176.1
[M+Na-2H]-	198.89470	124.5
[M]+	177.91948	137.0
[M]-	177.92058	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe