CID 91647447

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

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1CC2(CCC1=O)CC(C2)C(=O)O

InChI

InChI=1S/C10H14O3/c11-8-1-3-10(4-2-8)5-7(6-10)9(12)13/h7H,1-6H2,(H,12,13)

InChIKey

OPKMBKCMUQWYAX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 182.0943 Da
Monoisotopic Mass: 0.5
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]+	183.10158	142.0
[M+Na]+	205.08352	146.9
[M+NH4]+	200.12812	147.2
[M+K]+	221.05746	142.3
[M-H]-	181.08702	140.3
[M+Na-2H]-	203.06897	144.3
[M]+	182.09375	140.9
[M]-	182.09485	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe