CID 2771847

174885-99-5

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)

InChIKey

CLUUDOMFHPDBIR-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-amino-2-phenylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 369
Patents: 236.15248 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]+	237.15976	157.0
[M+Na]+	259.14170	161.3
[M-H]-	235.14520	159.7
[M+NH4]+	254.18630	173.8
[M+K]+	275.11564	159.9
[M+H-H2O]+	219.14974	150.4
[M+HCOO]-	281.15068	178.8
[M+CH3COO]-	295.16633	195.8
[M+Na-2H]-	257.12715	160.8
[M]+	236.15193	155.9
[M]-	236.15303	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe