CID 15171120

1001413-46-2

Structural Information

Molecular Formula

C₄H₅BrN₂S

SMILES

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

InChI

InChI=1S/C4H5BrN2S/c5-4-7-2-3(1-6)8-4/h2H,1,6H2

InChIKey

JZLXHPPZGZESTM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 191.93568 Da
Monoisotopic Mass: 0.9
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	122.9
[M+Na]+	214.924898	136.7
[M-H]-	190.928404	128.5
[M+NH4]+	209.969503	147.0
[M+K]+	230.898838	125.4
[M+H-H2O]+	174.932940	123.1
[M+HCOO]-	236.933881	141.6
[M+CH3COO]-	250.949531	178.9
[M+Na-2H]-	212.910346	128.5
[M]+	191.93513142	141.8
[M]-	191.93622858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe