CID 129928148

50707-79-4

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

CC1C(=O)NC2(O1)CCNCC2

InChI

InChI=1S/C8H14N2O2/c1-6-7(11)10-8(12-6)2-4-9-5-3-8/h6,9H,2-5H2,1H3,(H,10,11)

InChIKey

YOURKBVNHXAFJT-UHFFFAOYSA-N

Compound name

2-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: -0.4
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]+	171.112806	137.8
[M+Na]+	193.094748	143.8
[M-H]-	169.098254	138.1
[M+NH4]+	188.139353	156.7
[M+K]+	209.068688	142.0
[M+H-H2O]+	153.102790	131.5
[M+HCOO]-	215.103731	151.7
[M+CH3COO]-	229.119381	170.2
[M+Na-2H]-	191.080196	142.1
[M]+	170.10498142	129.9
[M]-	170.10607858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe