CID 71586811

Coumane

Structural Information

Molecular Formula

C₁₀H₈O₂

SMILES

C1[C@H]2[C@@H]1C(=O)OC3=CC=CC=C23

InChI

InChI=1S/C10H8O2/c11-10-8-5-7(8)6-3-1-2-4-9(6)12-10/h1-4,7-8H,5H2/t7-,8-/m1/s1

InChIKey

BSNSPNHWEMGXBT-HTQZYQBOSA-N

Compound name

(1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 32
Patents: 160.05243 Da
Monoisotopic Mass: 1.6
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]+	161.05971	131.5
[M+Na]+	183.04165	147.3
[M+NH4]+	178.08625	142.5
[M+K]+	199.01559	141.7
[M-H]-	159.04515	142.9
[M+Na-2H]-	181.02710	139.9
[M]+	160.05188	138.3
[M]-	160.05298	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe