CID 14053684

1197845-10-5

Structural Information

Molecular Formula

C₁₂H₁₉N₃O

SMILES

C1COCCN1CCNC2=CC=CC=C2N

InChI

InChI=1S/C12H19N3O/c13-11-3-1-2-4-12(11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10,13H2

InChIKey

VUNFYZZNGWQFHN-UHFFFAOYSA-N

Compound name

2-N-(2-morpholin-4-ylethyl)benzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 221.15282 Da
Monoisotopic Mass: 0.9
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]+	222.160096	151.1
[M+Na]+	244.142038	154.8
[M-H]-	220.145544	155.5
[M+NH4]+	239.186643	165.5
[M+K]+	260.115978	152.8
[M+H-H2O]+	204.150080	142.4
[M+HCOO]-	266.151021	171.3
[M+CH3COO]-	280.166671	192.1
[M+Na-2H]-	242.127486	157.1
[M]+	221.15227142	145.8
[M]-	221.15336858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe