CID 16795070

357443-58-4

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₂

SMILES

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

InChI

InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-7-10-13(16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11,16H2,1-3H3,(H,17,18)

InChIKey

IHZJZEXHKLIMKX-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-amino-4-phenylbutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 264.18378 Da
Monoisotopic Mass: 2.2
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]+	265.191056	166.2
[M+Na]+	287.172998	169.6
[M-H]-	263.176504	168.5
[M+NH4]+	282.217603	181.9
[M+K]+	303.146938	167.8
[M+H-H2O]+	247.181040	159.1
[M+HCOO]-	309.181981	187.3
[M+CH3COO]-	323.197631	201.9
[M+Na-2H]-	285.158446	168.9
[M]+	264.18323142	165.8
[M]-	264.18432858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe