CID 55264583

2,6-diazaspiro[3.4]octan-5-one hydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1CNC(=O)C12CNC2

InChI

InChI=1S/C6H10N2O/c9-5-6(1-2-8-5)3-7-4-6/h7H,1-4H2,(H,8,9)

InChIKey

JAWNHGPWYMORFN-UHFFFAOYSA-N

Compound name

2,6-diazaspiro[3.4]octan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 126.079315 Da
Monoisotopic Mass: -1.2
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]+	127.08659	126.6
[M+Na]+	149.06853	131.0
[M+NH4]+	144.11314	131.7
[M+K]+	165.04247	128.4
[M-H]-	125.07204	123.4
[M+Na-2H]-	147.05398	129.0
[M]+	126.07877	124.9
[M]-	126.07986	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe