CID 12954114

1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

C1CNCCC12CNC(=O)O2

InChI

InChI=1S/C7H12N2O2/c10-6-9-5-7(11-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)

InChIKey

LQGLKWIXYWZNGB-UHFFFAOYSA-N

Compound name

1-oxa-3,8-diazaspiro[4.5]decan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 960
Patents: 156.08987 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]+	157.097146	133.5
[M+Na]+	179.079088	139.0
[M-H]-	155.082594	133.5
[M+NH4]+	174.123693	152.5
[M+K]+	195.053028	137.4
[M+H-H2O]+	139.087130	127.0
[M+HCOO]-	201.088071	147.7
[M+CH3COO]-	215.103721	144.7
[M+Na-2H]-	177.064536	138.9
[M]+	156.08932142	124.8
[M]-	156.09041858	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe