CID 138039859

2241139-70-6

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

CN1C(=O)COC12CCNCC2

InChI

InChI=1S/C8H14N2O2/c1-10-7(11)6-12-8(10)2-4-9-5-3-8/h9H,2-6H2,1H3

InChIKey

AOQPNBTZNCGRBP-UHFFFAOYSA-N

Compound name

4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.10553 Da
Monoisotopic Mass: -0.6
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]+	171.11281	136.9
[M+Na]+	193.09475	143.3
[M-H]-	169.09825	138.5
[M+NH4]+	188.13935	156.4
[M+K]+	209.06869	142.4
[M+H-H2O]+	153.10279	130.3
[M+HCOO]-	215.10373	152.3
[M+CH3COO]-	229.11938	172.7
[M+Na-2H]-	191.08020	141.6
[M]+	170.10498	130.8
[M]-	170.10608	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.