CID 688611

71026-66-9

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

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

InChI

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

InChIKey

WIVYTYZCVWHWSH-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-aminophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2616
Patents: 208.12119 Da
Monoisotopic Mass: 1.5
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	147.4
[M+Na]+	231.11041	153.8
[M-H]-	207.11391	150.8
[M+NH4]+	226.15501	165.8
[M+K]+	247.08435	152.4
[M+H-H2O]+	191.11845	141.3
[M+HCOO]-	253.11939	170.8
[M+CH3COO]-	267.13504	190.1
[M+Na-2H]-	229.09586	152.8
[M]+	208.12064	146.7
[M]-	208.12174	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe