CID 155821959

2490412-82-1

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1CC2(CCC1C(=O)O)CCC2=O

InChI

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

InChIKey

SMVNEKDNKHPEDC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.0943 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]+	183.101576	136.5
[M+Na]+	205.083518	140.9
[M-H]-	181.087024	140.3
[M+NH4]+	200.128123	151.2
[M+K]+	221.057458	142.3
[M+H-H2O]+	165.091560	127.1
[M+HCOO]-	227.092501	153.1
[M+CH3COO]-	241.108151	180.8
[M+Na-2H]-	203.068966	140.3
[M]+	182.09375142	140.2
[M]-	182.09484858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.