CID 168014084

Akos040766083

Structural Information

Molecular Formula

C₇H₁₀N₂O₃

SMILES

C1CC2(CNC1)C(=O)NC(=O)O2

InChI

InChI=1S/C7H10N2O3/c10-5-7(12-6(11)9-5)2-1-3-8-4-7/h8H,1-4H2,(H,9,10,11)

InChIKey

PLVISBQOSDPIOZ-UHFFFAOYSA-N

Compound name

1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 170.06914 Da
Monoisotopic Mass: -0.6
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]+	171.07642	135.0
[M+Na]+	193.05836	141.6
[M-H]-	169.06186	135.4
[M+NH4]+	188.10296	153.6
[M+K]+	209.03230	139.9
[M+H-H2O]+	153.06640	128.8
[M+HCOO]-	215.06734	149.6
[M+CH3COO]-	229.08299	168.6
[M+Na-2H]-	191.04381	139.9
[M]+	170.06859	127.5
[M]-	170.06969	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe