CID 11119329

156496-92-3

Structural Information

Molecular Formula

C₁₀H₁₄BrNO₃

SMILES

CC(C)(C)OC(=O)N1CC=C(C(=O)C1)Br

InChI

InChI=1S/C10H14BrNO3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h4H,5-6H2,1-3H3

InChIKey

JKXASHFASIJCPO-UHFFFAOYSA-N

Compound name

tert-butyl 4-bromo-3-oxo-2,6-dihydropyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 275.01572 Da
Monoisotopic Mass: 2.0
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]+	276.02300	152.0
[M+Na]+	298.00494	162.8
[M-H]-	274.00844	157.0
[M+NH4]+	293.04954	171.1
[M+K]+	313.97888	153.0
[M+H-H2O]+	258.01298	152.1
[M+HCOO]-	320.01392	168.4
[M+CH3COO]-	334.02957	193.3
[M+Na-2H]-	295.99039	157.2
[M]+	275.01517	170.9
[M]-	275.01627	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe