CID 497205

3,11-dimethyl-4,8,9,12-tetrahydro-6h-4,7-(metheno)furo[3,2-c]oxacycloundecin-6-one

Structural Information

Molecular Formula
C15H16O3
SMILES
CC1=CCCC2=C[C@H](C3=C(C1)OC=C3C)OC2=O
InChI
InChI=1S/C15H16O3/c1-9-4-3-5-11-7-13(18-15(11)16)14-10(2)8-17-12(14)6-9/h4,7-8,13H,3,5-6H2,1-2H3/t13-/m1/s1
InChIKey
LWCKQMHMTSRRAA-CYBMUJFWSA-N
Compound name
(1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,8,12(15)-tetraen-13-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

35
Patents

244.10994 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 149.0
[M+Na]+ 267.09916 159.0
[M-H]- 243.10266 152.8
[M+NH4]+ 262.14376 168.3
[M+K]+ 283.07310 158.9
[M+H-H2O]+ 227.10720 149.1
[M+HCOO]- 289.10814 168.3
[M+CH3COO]- 303.12379 162.4
[M+Na-2H]- 265.08461 152.7
[M]+ 244.10939 151.1
[M]- 244.11049 151.1
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.