CID 129926974

3-oxospiro[4.4]nonane-1-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1CCC2(C1)CC(=O)CC2C(=O)O

InChI

InChI=1S/C10H14O3/c11-7-5-8(9(12)13)10(6-7)3-1-2-4-10/h8H,1-6H2,(H,12,13)

InChIKey

CNWYIDZXULHSRQ-UHFFFAOYSA-N

Compound name

2-oxospiro[4.4]nonane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.0943 Da
Monoisotopic Mass: 1.3
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	141.8
[M+Na]+	205.083518	148.1
[M-H]-	181.087024	145.9
[M+NH4]+	200.128123	166.5
[M+K]+	221.057458	146.1
[M+H-H2O]+	165.091560	137.8
[M+HCOO]-	227.092501	161.6
[M+CH3COO]-	241.108151	175.4
[M+Na-2H]-	203.068966	142.7
[M]+	182.09375142	137.1
[M]-	182.09484858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.