CID 2805601

Maybridge4_001033

Structural Information

Molecular Formula

C₁₁H₁₉N₃O

SMILES

CC1=C(C(=NCCN1)C)N2CCOCC2

InChI

InChI=1S/C11H19N3O/c1-9-11(10(2)13-4-3-12-9)14-5-7-15-8-6-14/h12H,3-8H2,1-2H3

InChIKey

PXRGVBBTRJVKTC-UHFFFAOYSA-N

Compound name

4-(5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-6-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 209.15282 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]+	210.160096	147.1
[M+Na]+	232.142038	151.1
[M-H]-	208.145544	149.2
[M+NH4]+	227.186643	158.7
[M+K]+	248.115978	153.1
[M+H-H2O]+	192.150080	137.1
[M+HCOO]-	254.151021	160.1
[M+CH3COO]-	268.166671	156.7
[M+Na-2H]-	230.127486	151.0
[M]+	209.15227142	139.0
[M]-	209.15336858	139.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.