CID 53302063

2309463-27-0

Structural Information

Molecular Formula

C₄H₅BrN₂S

SMILES

C1=C(N=C(S1)Br)CN

InChI

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

InChIKey

CFLZGQCWZFJGDN-UHFFFAOYSA-N

Compound name

(2-bromo-1,3-thiazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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]+	192.94296	125.3
[M+Na]+	214.92490	127.0
[M+NH4]+	209.96950	130.8
[M+K]+	230.89884	127.6
[M-H]-	190.92840	125.7
[M+Na-2H]-	212.91035	128.1
[M]+	191.93513	124.7
[M]-	191.93623	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe