CID 56962174

7-oxaspiro[3.5]nonane-2-carboxylic acid

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

C1COCCC12CC(C2)C(=O)O

InChI

InChI=1S/C9H14O3/c10-8(11)7-5-9(6-7)1-3-12-4-2-9/h7H,1-6H2,(H,10,11)

InChIKey

HWAOSQJGTBRERO-UHFFFAOYSA-N

Compound name

7-oxaspiro[3.5]nonane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 170.0943 Da
Monoisotopic Mass: 0.7
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]+	171.10158	137.3
[M+Na]+	193.08352	142.3
[M+NH4]+	188.12812	142.8
[M+K]+	209.05746	138.3
[M-H]-	169.08702	137.1
[M+Na-2H]-	191.06897	139.8
[M]+	170.09375	136.7
[M]-	170.09485	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe