CID 130833210

Rac-(1r,4r)-spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane]-5-one

Structural Information

Molecular Formula

C₉H₁₂O₃

SMILES

C1COC2(O1)C[C@@H]3C[C@H]2CC3=O

InChI

InChI=1S/C9H12O3/c10-8-4-7-3-6(8)5-9(7)11-1-2-12-9/h6-7H,1-5H2/t6-,7-/m0/s1

InChIKey

AHODDELHXDJTTC-BQBZGAKWSA-N

Compound name

(1'S,4'S)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 168.07864 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]+	169.085916	134.2
[M+Na]+	191.067858	142.1
[M-H]-	167.071364	140.5
[M+NH4]+	186.112463	160.9
[M+K]+	207.041798	142.6
[M+H-H2O]+	151.075900	132.2
[M+HCOO]-	213.076841	153.6
[M+CH3COO]-	227.092491	148.6
[M+Na-2H]-	189.053306	138.9
[M]+	168.07809142	133.7
[M]-	168.07918858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe