CID 53439237

618445-80-0

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

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

InChI

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

InChIKey

WVQNHLVEDPIIRS-UHFFFAOYSA-N

Compound name

tert-butyl N-[4-(1-aminoethyl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 236.15248 Da
Monoisotopic Mass: 1.7
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	156.7
[M+Na]+	259.14170	161.9
[M-H]-	235.14520	159.8
[M+NH4]+	254.18630	173.9
[M+K]+	275.11564	160.7
[M+H-H2O]+	219.14974	150.4
[M+HCOO]-	281.15068	178.5
[M+CH3COO]-	295.16633	197.1
[M+Na-2H]-	257.12715	159.8
[M]+	236.15193	156.1
[M]-	236.15303	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe