CID 165589445

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

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]+ 175.075356 136.6
[M+Na]+ 197.057298 148.5
[M-H]- 173.060804 144.1
[M+NH4]+ 192.101903 155.1
[M+K]+ 213.031238 147.0
[M+H-H2O]+ 157.065340 131.0
[M+HCOO]- 219.066281 156.5
[M+CH3COO]- 233.081931 150.9
[M+Na-2H]- 195.042746 147.0
[M]+ 174.06753142 140.8
[M]- 174.06862858 140.8
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.