CID 154872448

2470440-28-7

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

C1CNCCC12COCC(O2)CO

InChI

InChI=1S/C9H17NO3/c11-5-8-6-12-7-9(13-8)1-3-10-4-2-9/h8,10-11H,1-7H2

InChIKey

SOGLFLYFJHDFMI-UHFFFAOYSA-N

Compound name

1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.12085 Da
Monoisotopic Mass: -1.0
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]+	188.12813	142.1
[M+Na]+	210.11007	145.4
[M-H]-	186.11357	143.5
[M+NH4]+	205.15467	158.0
[M+K]+	226.08401	145.7
[M+H-H2O]+	170.11811	135.5
[M+HCOO]-	232.11905	153.8
[M+CH3COO]-	246.13470	173.0
[M+Na-2H]-	208.09552	149.0
[M]+	187.12030	134.3
[M]-	187.12140	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.