CID 11206349

38427-94-0

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11-8/h4-7H,1-3H3,(H,11,12,13)

InChIKey

ORUGTGTZBRUQIT-UHFFFAOYSA-N

Compound name

tert-butyl N-pyridin-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 487
Patents: 194.10553 Da
Monoisotopic Mass: 2.0
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]+	195.112806	143.3
[M+Na]+	217.094748	150.1
[M-H]-	193.098254	145.7
[M+NH4]+	212.139353	161.3
[M+K]+	233.068688	149.1
[M+H-H2O]+	177.102790	136.7
[M+HCOO]-	239.103731	165.5
[M+CH3COO]-	253.119381	184.1
[M+Na-2H]-	215.080196	150.9
[M]+	194.10498142	144.2
[M]-	194.10607858	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe