CID 170987

51155-03-4

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)COC3=O

InChI

InChI=1S/C8H10O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h4-7H,1-3H2/t4-,5-,6+,7-/m1/s1

InChIKey

ZMBDOIYQGZHKEU-MVIOUDGNSA-N

Compound name

(1S,2R,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 154.06299 Da
Monoisotopic Mass: 0.4
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]+	155.07027	128.5
[M+Na]+	177.05221	136.9
[M+NH4]+	172.09681	138.2
[M+K]+	193.02615	138.4
[M-H]-	153.05571	130.9
[M+Na-2H]-	175.03766	127.4
[M]+	154.06244	130.1
[M]-	154.06354	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe