CID 12448555

66571-60-6

Structural Information

Molecular Formula

C₅H₇BrN₂S

SMILES

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

InChI

InChI=1S/C5H7BrN2S/c1-8(2)5-7-3-4(6)9-5/h3H,1-2H3

InChIKey

FBKKLSJTAVXQBV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 205.95132 Da
Monoisotopic Mass: 2.4
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]+	206.958596	127.0
[M+Na]+	228.940538	140.6
[M-H]-	204.944044	134.5
[M+NH4]+	223.985143	151.6
[M+K]+	244.914478	130.8
[M+H-H2O]+	188.948580	126.9
[M+HCOO]-	250.949521	146.5
[M+CH3COO]-	264.965171	185.7
[M+Na-2H]-	226.925986	132.5
[M]+	205.95077142	148.4
[M]-	205.95186858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe