CID 13062431

34989-52-1

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

C1CC2(CC3C1O3)OCCO2

InChI

InChI=1S/C8H12O3/c1-2-8(9-3-4-10-8)5-7-6(1)11-7/h6-7H,1-5H2

InChIKey

ITIXASMVRIYQAP-UHFFFAOYSA-N

Compound name

spiro[1,3-dioxolane-2,3'-7-oxabicyclo[4.1.0]heptane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 156.07864 Da
Monoisotopic Mass: 0.3
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]+	157.085916	130.5
[M+Na]+	179.067858	139.3
[M-H]-	155.071364	139.3
[M+NH4]+	174.112463	147.4
[M+K]+	195.041798	142.1
[M+H-H2O]+	139.075900	125.8
[M+HCOO]-	201.076841	147.0
[M+CH3COO]-	215.092491	144.4
[M+Na-2H]-	177.053306	140.1
[M]+	156.07809142	132.4
[M]-	156.07918858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe