CID 86650124

Br-boc-c2-azido

Structural Information

Molecular Formula

C₆H₁₀BrN₃O₂

SMILES

CC(C)(C(=O)OCCN=[N+]=[N-])Br

InChI

InChI=1S/C6H10BrN3O2/c1-6(2,7)5(11)12-4-3-9-10-8/h3-4H2,1-2H3

InChIKey

OYSXPOJKJKBNSG-UHFFFAOYSA-N

Compound name

2-azidoethyl 2-bromo-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 281
Patents: 234.99564 Da
Monoisotopic Mass: 2.4
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]+	236.00292	143.6
[M+Na]+	257.98486	153.5
[M-H]-	233.98836	149.1
[M+NH4]+	253.02946	164.9
[M+K]+	273.95880	139.8
[M+H-H2O]+	217.99290	146.5
[M+HCOO]-	279.99384	169.3
[M+CH3COO]-	294.00949	190.3
[M+Na-2H]-	255.97031	154.2
[M]+	234.99509	162.3
[M]-	234.99619	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe