CID 71757071

4-oxaspiro[bicyclo[3.2.0]heptane-6,1'-cyclopentane]-7-ol

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CCC2(C1)C(C3C2OCC3)O

InChI

InChI=1S/C10H16O2/c11-8-7-3-6-12-9(7)10(8)4-1-2-5-10/h7-9,11H,1-6H2

InChIKey

JGZUJPCFJQYINE-UHFFFAOYSA-N

Compound name

spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 1.4
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]+	169.122316	129.5
[M+Na]+	191.104258	134.9
[M-H]-	167.107764	135.4
[M+NH4]+	186.148863	148.4
[M+K]+	207.078198	136.4
[M+H-H2O]+	151.112300	122.4
[M+HCOO]-	213.113241	147.2
[M+CH3COO]-	227.128891	177.6
[M+Na-2H]-	189.089706	134.0
[M]+	168.11449142	134.8
[M]-	168.11558858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.