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

32
Patents

160.05243 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 130.7
[M+Na]+ 183.04165 142.2
[M-H]- 159.04515 138.0
[M+NH4]+ 178.08625 147.8
[M+K]+ 199.01559 140.1
[M+H-H2O]+ 143.04969 124.7
[M+HCOO]- 205.05063 151.3
[M+CH3COO]- 219.06628 145.1
[M+Na-2H]- 181.02710 140.8
[M]+ 160.05188 134.1
[M]- 160.05298 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