CID 2757381

168050-39-3

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₂

SMILES

C1=CC=C(C=C1)COC(=O)NCC2=CC=C(C=C2)N

InChI

InChI=1S/C15H16N2O2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-9H,10-11,16H2,(H,17,18)

InChIKey

YILCBSAIBMIFQA-UHFFFAOYSA-N

Compound name

benzyl N-[(4-aminophenyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 62
Patents: 256.1212 Da
Monoisotopic Mass: 2.3
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]+	257.128476	158.4
[M+Na]+	279.110418	163.8
[M-H]-	255.113924	164.4
[M+NH4]+	274.155023	174.0
[M+K]+	295.084358	160.2
[M+H-H2O]+	239.118460	150.1
[M+HCOO]-	301.119401	183.5
[M+CH3COO]-	315.135051	198.3
[M+Na-2H]-	277.095866	163.7
[M]+	256.12065142	157.1
[M]-	256.12174858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe