CID 130151914

3-oxatricyclo[3.2.1.0,2,4]octane-6,7-diol

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

C1C2C(C(C1C3C2O3)O)O

InChI

InChI=1S/C7H10O3/c8-4-2-1-3(5(4)9)7-6(2)10-7/h2-9H,1H2

InChIKey

LVZZYSCVBIZYIJ-UHFFFAOYSA-N

Compound name

3-oxatricyclo[3.2.1.02,4]octane-6,7-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 142.06299 Da
Monoisotopic Mass: -0.8
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]+	143.070266	124.5
[M+Na]+	165.052208	136.1
[M-H]-	141.055714	128.0
[M+NH4]+	160.096813	145.1
[M+K]+	181.026148	132.8
[M+H-H2O]+	125.060250	122.0
[M+HCOO]-	187.061191	142.0
[M+CH3COO]-	201.076841	138.7
[M+Na-2H]-	163.037656	130.4
[M]+	142.06244142	128.0
[M]-	142.06353858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe