CID 28309106

191871-91-7

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

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

InChI

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

InChIKey

IGHYTPRPKZWCGC-UHFFFAOYSA-N

Compound name

tert-butyl N-[4-(aminomethyl)phenyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
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	156.2
[M+Na]+	259.14170	165.6
[M+NH4]+	254.18630	163.1
[M+K]+	275.11564	161.3
[M-H]-	235.14520	158.0
[M+Na-2H]-	257.12715	161.3
[M]+	236.15193	157.8
[M]-	236.15303	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe