CID 178200391

6-oxaspiro[2.5]octan-1-ol

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C1COCCC12CC2O

InChI

InChI=1S/C7H12O2/c8-6-5-7(6)1-3-9-4-2-7/h6,8H,1-5H2

InChIKey

PBBGDODUUQDOQI-UHFFFAOYSA-N

Compound name

6-oxaspiro[2.5]octan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 128.08372 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]+	129.09100	126.2
[M+Na]+	151.07294	134.4
[M-H]-	127.07644	132.2
[M+NH4]+	146.11754	143.7
[M+K]+	167.04688	134.8
[M+H-H2O]+	111.08098	121.3
[M+HCOO]-	173.08192	145.0
[M+CH3COO]-	187.09757	170.1
[M+Na-2H]-	149.05839	135.0
[M]+	128.08317	125.3
[M]-	128.08427	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.