CID 17750865

737000-78-1

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1)C#N

InChI

InChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)14-9-6-8(7-12)4-5-13-9/h4-6H,1-3H3,(H,13,14,15)

InChIKey

YDQSFIWCKUKWEG-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-cyanopyridin-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 219.10077 Da
Monoisotopic Mass: 1.5
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]+	220.10805	151.3
[M+Na]+	242.08999	161.4
[M+NH4]+	237.13459	154.3
[M+K]+	258.06393	153.8
[M-H]-	218.09349	144.5
[M+Na-2H]-	240.07544	154.1
[M]+	219.10022	149.8
[M]-	219.10132	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe