CID 29555

Bis(4-aminophenyl) carbonate

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₃

SMILES

C1=CC(=CC=C1N)OC(=O)OC2=CC=C(C=C2)N

InChI

InChI=1S/C13H12N2O3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H,14-15H2

InChIKey

JBBBDGJYVDMMMN-UHFFFAOYSA-N

Compound name

bis(4-aminophenyl) carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 244.0848 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]+	245.09208	154.0
[M+Na]+	267.07402	166.1
[M+NH4]+	262.11862	161.4
[M+K]+	283.04796	160.5
[M-H]-	243.07752	158.4
[M+Na-2H]-	265.05947	162.1
[M]+	244.08425	156.8
[M]-	244.08535	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe