CID 118385514

1810002-85-7

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1CC2(CCNC1)CC(=O)NC2

InChI

InChI=1S/C9H16N2O/c12-8-6-9(7-11-8)2-1-4-10-5-3-9/h10H,1-7H2,(H,11,12)

InChIKey

XAZDNUBVYZUXAS-UHFFFAOYSA-N

Compound name

2,9-diazaspiro[4.6]undecan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 168.12627 Da
Monoisotopic Mass: -0.2
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]+	169.13355	137.6
[M+Na]+	191.11549	140.6
[M-H]-	167.11899	138.0
[M+NH4]+	186.16009	155.9
[M+K]+	207.08943	140.1
[M+H-H2O]+	151.12353	129.7
[M+HCOO]-	213.12447	151.3
[M+CH3COO]-	227.14012	147.3
[M+Na-2H]-	189.10094	140.7
[M]+	168.12572	124.8
[M]-	168.12682	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe