CID 12941491

113261-00-0

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC=CC(=C2)N

InChI

InChI=1S/C14H14N2O2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-9H,10,15H2,(H,16,17)

InChIKey

LVKFFMWGFFEDEE-UHFFFAOYSA-N

Compound name

benzyl N-(3-aminophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 242.10553 Da
Monoisotopic Mass: 1.9
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]+	243.112806	153.8
[M+Na]+	265.094748	159.7
[M-H]-	241.098254	160.0
[M+NH4]+	260.139353	170.1
[M+K]+	281.068688	156.4
[M+H-H2O]+	225.102790	145.8
[M+HCOO]-	287.103731	179.3
[M+CH3COO]-	301.119381	195.3
[M+Na-2H]-	263.080196	159.7
[M]+	242.10498142	152.2
[M]-	242.10607858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe