CID 1512532

4-[(tert-butoxycarbonylamino)methyl]pyridine

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)NCC1=CC=NC=C1

InChI

InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-8-9-4-6-12-7-5-9/h4-7H,8H2,1-3H3,(H,13,14)

InChIKey

KXCFJDZVQLRYSI-UHFFFAOYSA-N

Compound name

tert-butyl N-(pyridin-4-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 265
Patents: 208.12119 Da
Monoisotopic Mass: 1.4
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]+	209.128466	147.9
[M+Na]+	231.110408	154.3
[M-H]-	207.113914	150.1
[M+NH4]+	226.155013	165.4
[M+K]+	247.084348	153.1
[M+H-H2O]+	191.118450	141.1
[M+HCOO]-	253.119391	169.8
[M+CH3COO]-	267.135041	187.1
[M+Na-2H]-	229.095856	155.0
[M]+	208.12064142	149.2
[M]-	208.12173858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe