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
3
Annotation Hits

0
References

19
Patents

160.05243 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.059706 130.7
[M+Na]+ 183.041648 142.2
[M-H]- 159.045154 138.0
[M+NH4]+ 178.086253 147.8
[M+K]+ 199.015588 140.1
[M+H-H2O]+ 143.049690 124.7
[M+HCOO]- 205.050631 151.3
[M+CH3COO]- 219.066281 145.1
[M+Na-2H]- 181.027096 140.8
[M]+ 160.05188142 134.1
[M]- 160.05297858 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe