CID 11173072

840493-84-7

Structural Information

Molecular Formula

C₈H₁₁BrN₂OS

SMILES

CC(C)(C)C(=O)NC1=NC=C(S1)Br

InChI

InChI=1S/C8H11BrN2OS/c1-8(2,3)6(12)11-7-10-4-5(9)13-7/h4H,1-3H3,(H,10,11,12)

InChIKey

YXGIOMZEOSAJJU-UHFFFAOYSA-N

Compound name

N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 261.97754 Da
Monoisotopic Mass: 3.6
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]+	262.98482	145.2
[M+Na]+	284.96676	157.5
[M-H]-	260.97026	151.0
[M+NH4]+	280.01136	166.9
[M+K]+	300.94070	146.2
[M+H-H2O]+	244.97480	145.1
[M+HCOO]-	306.97574	161.2
[M+CH3COO]-	320.99139	191.6
[M+Na-2H]-	282.95221	149.4
[M]+	261.97699	165.7
[M]-	261.97809	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe