CID 33695230

6-oxospiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

C1C(CC12CC(=O)C2)C(=O)O

InChI

InChI=1S/C8H10O3/c9-6-3-8(4-6)1-5(2-8)7(10)11/h5H,1-4H2,(H,10,11)

InChIKey

FGDRQRQOJRZARK-UHFFFAOYSA-N

Compound name

2-oxospiro[3.3]heptane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 154.06299 Da
Monoisotopic Mass: -0.2
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]+	155.070266	124.4
[M+Na]+	177.052208	129.0
[M-H]-	153.055714	128.9
[M+NH4]+	172.096813	133.3
[M+K]+	193.026148	133.6
[M+H-H2O]+	137.060250	112.1
[M+HCOO]-	199.061191	141.5
[M+CH3COO]-	213.076841	186.3
[M+Na-2H]-	175.037656	129.1
[M]+	154.06244142	138.9
[M]-	154.06353858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe