CID 16412

Diglycidylaniline

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1C(O1)CN(CC2CO2)C3=CC=CC=C3

InChI

InChI=1S/C12H15NO2/c1-2-4-10(5-3-1)13(6-11-8-14-11)7-12-9-15-12/h1-5,11-12H,6-9H2

InChIKey

JAYXSROKFZAHRQ-UHFFFAOYSA-N

Compound name

N,N-bis(oxiran-2-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 25078
Patents: 205.11028 Da
Monoisotopic Mass: 1.4
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]+	206.11756	151.2
[M+Na]+	228.09950	157.8
[M-H]-	204.10300	163.0
[M+NH4]+	223.14410	156.9
[M+K]+	244.07344	159.8
[M+H-H2O]+	188.10754	143.6
[M+HCOO]-	250.10848	172.2
[M+CH3COO]-	264.12413	201.1
[M+Na-2H]-	226.08495	157.5
[M]+	205.10973	157.3
[M]-	205.11083	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe