CID 15851363

2-oxatricyclo[5.4.0.0,3,5]undeca-1(11),7,9-trien-6-one

Structural Information

Molecular Formula
C10H8O2
SMILES
C1C2C1OC3=CC=CC=C3C2=O
InChI
InChI=1S/C10H8O2/c11-10-6-3-1-2-4-8(6)12-9-5-7(9)10/h1-4,7,9H,5H2
InChIKey
DQYKWUOLGDGKNU-UHFFFAOYSA-N
Compound name
1a,7a-dihydro-1H-cyclopropa[b]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

literature stripe

Patent stripe

No patent data available for this compound.