CID 124253035

Tert-butyl n-{5h,6h,7h,8h-imidazo[1,2-a]pyridin-2-yl}carbamate

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₂

SMILES

CC(C)(C)OC(=O)NC1=CN2CCCCC2=N1

InChI

InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-9-8-15-7-5-4-6-10(15)13-9/h8H,4-7H2,1-3H3,(H,14,16)

InChIKey

KEYGAWFQSIQURM-UHFFFAOYSA-N

Compound name

tert-butyl N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.14772 Da
Monoisotopic Mass: 1.6
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]+	238.154996	156.3
[M+Na]+	260.136938	162.2
[M-H]-	236.140444	157.7
[M+NH4]+	255.181543	174.0
[M+K]+	276.110878	160.6
[M+H-H2O]+	220.144980	149.1
[M+HCOO]-	282.145921	174.1
[M+CH3COO]-	296.161571	192.2
[M+Na-2H]-	258.122386	161.0
[M]+	237.14717142	155.5
[M]-	237.14826858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.