CID 83679914

1,3,7-triazaspiro[4.5]decan-2-one

Structural Information

Molecular Formula

C₇H₁₃N₃O

SMILES

C1CC2(CNC1)CNC(=O)N2

InChI

InChI=1S/C7H13N3O/c11-6-9-5-7(10-6)2-1-3-8-4-7/h8H,1-5H2,(H2,9,10,11)

InChIKey

OWDXVKSJDZVIRF-UHFFFAOYSA-N

Compound name

1,3,9-triazaspiro[4.5]decan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 155.10587 Da
Monoisotopic Mass: -0.9
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]+	156.113146	136.9
[M+Na]+	178.095088	142.0
[M-H]-	154.098594	133.5
[M+NH4]+	173.139693	155.2
[M+K]+	194.069028	138.0
[M+H-H2O]+	138.103130	129.6
[M+HCOO]-	200.104071	149.0
[M+CH3COO]-	214.119721	146.6
[M+Na-2H]-	176.080536	140.8
[M]+	155.10532142	124.9
[M]-	155.10641858	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe