CID 16225633

6-(hydroxymethyl)spiro[3.3]heptan-2-one

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1C(CC12CC(=O)C2)CO

InChI

InChI=1S/C8H12O2/c9-5-6-1-8(2-6)3-7(10)4-8/h6,9H,1-5H2

InChIKey

MDJBRZGNSXRIMQ-UHFFFAOYSA-N

Compound name

6-(hydroxymethyl)spiro[3.3]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 140.08372 Da
Monoisotopic Mass: -0.1
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]+	141.09100	133.8
[M+Na]+	163.07294	135.1
[M+NH4]+	158.11754	135.6
[M+K]+	179.04688	132.4
[M-H]-	139.07644	130.0
[M+Na-2H]-	161.05839	134.5
[M]+	140.08317	130.7
[M]-	140.08427	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe