CID 163323772

Refchem:539806

Structural Information

Molecular Formula

C₁₀H₁₈N₂O

SMILES

C1COCCC1N2CC3(C2)CNC3

InChI

InChI=1S/C10H18N2O/c1-3-13-4-2-9(1)12-7-10(8-12)5-11-6-10/h9,11H,1-8H2

InChIKey

CTGBCXOCLNUPLV-UHFFFAOYSA-N

Compound name

2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 182.1419 Da
Monoisotopic Mass: -0.1
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]+	183.149176	128.2
[M+Na]+	205.131118	130.5
[M-H]-	181.134624	131.9
[M+NH4]+	200.175723	132.4
[M+K]+	221.105058	135.3
[M+H-H2O]+	165.139160	112.7
[M+HCOO]-	227.140101	139.8
[M+CH3COO]-	241.155751	189.7
[M+Na-2H]-	203.116566	134.4
[M]+	182.14135142	137.9
[M]-	182.14244858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe