CID 66524347

1219112-94-3

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC1=NC=CC(=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C11H16N2O2/c1-8-7-9(5-6-12-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)

InChIKey

KWYQHZAEXXBEGZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 208.12119 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]+	209.12847	147.5
[M+Na]+	231.11041	154.9
[M-H]-	207.11391	150.2
[M+NH4]+	226.15501	165.3
[M+K]+	247.08435	153.7
[M+H-H2O]+	191.11845	141.0
[M+HCOO]-	253.11939	169.4
[M+CH3COO]-	267.13504	188.3
[M+Na-2H]-	229.09586	153.9
[M]+	208.12064	149.2
[M]-	208.12174	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe