CID 3729801

42116-43-8

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)NNC1=CC=CC=C1

InChI

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

InChIKey

PYEQNXVGJRAEIG-UHFFFAOYSA-N

Compound name

tert-butyl N-anilinocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
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	147.8
[M+Na]+	231.11041	157.2
[M+NH4]+	226.15501	154.9
[M+K]+	247.08435	152.5
[M-H]-	207.11391	149.4
[M+Na-2H]-	229.09586	153.8
[M]+	208.12064	149.3
[M]-	208.12174	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe