CID 63939222

1803582-49-1

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

C1COCC12CNCC2C(=O)O

InChI

InChI=1S/C8H13NO3/c10-7(11)6-3-9-4-8(6)1-2-12-5-8/h6,9H,1-5H2,(H,10,11)

InChIKey

PBHNFNXCFFXFHC-UHFFFAOYSA-N

Compound name

2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.08954 Da
Monoisotopic Mass: -3.1
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]+	172.09682	137.9
[M+Na]+	194.07876	144.6
[M+NH4]+	189.12336	146.3
[M+K]+	210.05270	143.4
[M-H]-	170.08226	138.3
[M+Na-2H]-	192.06421	140.5
[M]+	171.08899	138.5
[M]-	171.09009	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.