CID 21760783

1280704-26-8

Structural Information

Molecular Formula

C₇H₉BrN₂S

SMILES

CN1CCC2=C(C1)N=C(S2)Br

InChI

InChI=1S/C7H9BrN2S/c1-10-3-2-6-5(4-10)9-7(8)11-6/h2-4H2,1H3

InChIKey

GKLJWYUFEQPLBO-UHFFFAOYSA-N

Compound name

2-bromo-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 231.96698 Da
Monoisotopic Mass: 1.9
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]+	232.97426	134.8
[M+Na]+	254.95620	137.6
[M+NH4]+	250.00080	140.9
[M+K]+	270.93014	137.4
[M-H]-	230.95970	135.2
[M+Na-2H]-	252.94165	136.9
[M]+	231.96643	134.5
[M]-	231.96753	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe