CID 83687752

1506302-09-5

Structural Information

Molecular Formula

C₅H₇BrN₂S

SMILES

CC1=C(N=C(S1)CN)Br

InChI

InChI=1S/C5H7BrN2S/c1-3-5(6)8-4(2-7)9-3/h2,7H2,1H3

InChIKey

LUSCMBCZMUMXAA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.95132 Da
Monoisotopic Mass: 1.3
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]+	206.95860	129.6
[M+Na]+	228.94054	131.5
[M+NH4]+	223.98514	135.1
[M+K]+	244.91448	132.0
[M-H]-	204.94404	130.1
[M+Na-2H]-	226.92599	132.0
[M]+	205.95077	129.1
[M]-	205.95187	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.