CID 22569414

643086-68-4

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,14H2,1-4H3,(H,15,16)

InChIKey

COSXQRGJLFEFGJ-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-(4-aminophenyl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 236.15248 Da
Monoisotopic Mass: 2.1
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]+	237.15976	156.6
[M+Na]+	259.14170	165.4
[M+NH4]+	254.18630	163.1
[M+K]+	275.11564	161.4
[M-H]-	235.14520	157.8
[M+Na-2H]-	257.12715	161.1
[M]+	236.15193	157.9
[M]-	236.15303	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe