CID 24997839

845306-08-3

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₂

SMILES

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

InChI

InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)8-5-4-7(11)6-12-8/h4-6H,1-3H3

InChIKey

GBAJDPJECJPPSP-UHFFFAOYSA-N

Compound name

tert-butyl 5-bromopyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 238
Patents: 257.00513 Da
Monoisotopic Mass: 2.7
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]+	258.01241	147.1
[M+Na]+	279.99435	150.0
[M+NH4]+	275.03895	150.9
[M+K]+	295.96829	151.1
[M-H]-	255.99785	146.2
[M+Na-2H]-	277.97980	150.2
[M]+	257.00458	146.0
[M]-	257.00568	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe