CID 55263205

2,7-diazaspiro[4.4]nonan-1-one hydrochloride

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1CNCC12CCNC2=O

InChI

InChI=1S/C7H12N2O/c10-6-7(2-4-9-6)1-3-8-5-7/h8H,1-5H2,(H,9,10)

InChIKey

LPSIDWNZLCMXRO-UHFFFAOYSA-N

Compound name

2,7-diazaspiro[4.4]nonan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 140.09496 Da
Monoisotopic Mass: -0.8
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]+	141.10224	132.0
[M+Na]+	163.08418	138.3
[M-H]-	139.08768	132.0
[M+NH4]+	158.12878	154.9
[M+K]+	179.05812	135.6
[M+H-H2O]+	123.09222	125.8
[M+HCOO]-	185.09316	149.2
[M+CH3COO]-	199.10881	143.9
[M+Na-2H]-	161.06963	135.1
[M]+	140.09441	123.5
[M]-	140.09551	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe