CID 6488

Carbromal

Structural Information

Molecular Formula

C₇H₁₃BrN₂O₂

SMILES

CCC(CC)(C(=O)NC(=O)N)Br

InChI

InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)

InChIKey

OPNPQXLQERQBBV-UHFFFAOYSA-N

Compound name

2-bromo-N-carbamoyl-2-ethylbutanamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 30
References: 50643
Patents: 236.01604 Da
Monoisotopic Mass: 1.5
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]+	237.02332	145.7
[M+Na]+	259.00526	143.8
[M+NH4]+	254.04986	148.1
[M+K]+	274.97920	146.8
[M-H]-	235.00876	142.9
[M+Na-2H]-	256.99071	144.7
[M]+	236.01549	143.0
[M]-	236.01659	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe