CID 2799234

Maybridge1_001498

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₃

SMILES

CC(=O)C(C)(C)OC(=O)NCCC1=CC=CC=N1

InChI

InChI=1S/C13H18N2O3/c1-10(16)13(2,3)18-12(17)15-9-7-11-6-4-5-8-14-11/h4-6,8H,7,9H2,1-3H3,(H,15,17)

InChIKey

UUVRXEKGQCPCEG-UHFFFAOYSA-N

Compound name

(2-methyl-3-oxobutan-2-yl) N-(2-pyridin-2-ylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 250.13174 Da
Monoisotopic Mass: 1.2
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]+	251.139016	158.3
[M+Na]+	273.120958	163.6
[M-H]-	249.124464	160.2
[M+NH4]+	268.165563	173.7
[M+K]+	289.094898	162.4
[M+H-H2O]+	233.129000	151.0
[M+HCOO]-	295.129941	178.9
[M+CH3COO]-	309.145591	195.9
[M+Na-2H]-	271.106406	163.2
[M]+	250.13119142	160.4
[M]-	250.13228858	160.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.