CID 10932321

Tert-butyl pyridin-3-ylcarbamate

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(C)(C)OC(=O)NC1=CN=CC=C1

InChI

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

InChIKey

WKHGDPZRLXDVMJ-UHFFFAOYSA-N

Compound name

tert-butyl N-pyridin-3-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 396
Patents: 194.10553 Da
Monoisotopic Mass: 1.8
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]+	195.11281	143.2
[M+Na]+	217.09475	153.9
[M+NH4]+	212.13935	150.2
[M+K]+	233.06869	149.3
[M-H]-	193.09825	143.8
[M+Na-2H]-	215.08020	149.5
[M]+	194.10498	144.7
[M]-	194.10608	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe