CID 2756043

108467-99-8

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NCC1=CC=CC(=C1)CN

InChI

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

InChIKey

GQAUPTTUSSLXPS-UHFFFAOYSA-N

Compound name

tert-butyl N-[[3-(aminomethyl)phenyl]methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 336
Patents: 236.15248 Da
Monoisotopic Mass: 1.3
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	156.5
[M+Na]+	259.14170	165.6
[M+NH4]+	254.18630	163.1
[M+K]+	275.11564	160.8
[M-H]-	235.14520	158.0
[M+Na-2H]-	257.12715	161.4
[M]+	236.15193	158.0
[M]-	236.15303	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe