CID 97015786

Rac-(1r,5s)-4-oxaspiro[bicyclo[3.2.0]heptane-6,1'-cyclopentane]-7-one

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1CCC2(C1)[C@@H]3[C@H](C2=O)CCO3

InChI

InChI=1S/C10H14O2/c11-8-7-3-6-12-9(7)10(8)4-1-2-5-10/h7,9H,1-6H2/t7-,9-/m0/s1

InChIKey

FNAOMPNFIBVSGB-CBAPKCEASA-N

Compound name

(1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.09938 Da
Monoisotopic Mass: 1.2
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]+	167.106656	127.4
[M+Na]+	189.088598	133.5
[M-H]-	165.092104	134.6
[M+NH4]+	184.133203	147.0
[M+K]+	205.062538	135.2
[M+H-H2O]+	149.096640	120.1
[M+HCOO]-	211.097581	146.7
[M+CH3COO]-	225.113231	179.3
[M+Na-2H]-	187.074046	132.3
[M]+	166.09883142	133.7
[M]-	166.09992858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.