CID 165589445

Rac-(3r,5s)-5-methyl-2-oxatricyclo[5.4.0.0,3,5]undeca-1(11),7,9-trien-6-one, cis

Structural Information

Molecular Formula
C11H10O2
SMILES
C[C@]12C[C@H]1OC3=CC=CC=C3C2=O
InChI
InChI=1S/C11H10O2/c1-11-6-9(11)13-8-5-3-2-4-7(8)10(11)12/h2-5,9H,6H2,1H3/t9-,11+/m1/s1
InChIKey
WYYFVKUBHSHHHS-KOLCDFICSA-N
Compound name
(1aR,7aS)-7a-methyl-1,1a-dihydrocyclopropa[b]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 137.5
[M+Na]+ 197.05730 153.3
[M+NH4]+ 192.10190 149.8
[M+K]+ 213.03124 145.9
[M-H]- 173.06080 149.0
[M+Na-2H]- 195.04275 147.0
[M]+ 174.06753 144.5
[M]- 174.06863 144.5
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

No patent data available for this compound.