CID 14112332

119421-28-2

Structural Information

Molecular Formula

C₁₀H₁₅N₃O

SMILES

C1COCCN1C2=CC(=C(C=C2)N)N

InChI

InChI=1S/C10H15N3O/c11-9-2-1-8(7-10(9)12)13-3-5-14-6-4-13/h1-2,7H,3-6,11-12H2

InChIKey

PDWIMPLKQVKKHZ-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 193.1215 Da
Monoisotopic Mass: 0.3
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]+	194.12878	143.5
[M+Na]+	216.11072	149.2
[M-H]-	192.11422	148.3
[M+NH4]+	211.15532	159.1
[M+K]+	232.08466	147.2
[M+H-H2O]+	176.11876	135.5
[M+HCOO]-	238.11970	163.7
[M+CH3COO]-	252.13535	186.6
[M+Na-2H]-	214.09617	148.8
[M]+	193.12095	136.9
[M]-	193.12205	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe