CID 3067290

Brn 5280366

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1(CC23C4CCC1C2CC(=O)C3(OC4=O)C)C
InChI
InChI=1S/C15H20O3/c1-13(2)7-15-9-5-4-8(13)10(15)6-11(16)14(15,3)18-12(9)17/h8-10H,4-7H2,1-3H3
InChIKey
SEETYEZEEVLMJA-UHFFFAOYSA-N
Compound name
5,12,12-trimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 153.2
[M+Na]+ 271.13047 162.9
[M-H]- 247.13397 159.9
[M+NH4]+ 266.17507 183.5
[M+K]+ 287.10441 159.5
[M+H-H2O]+ 231.13851 151.2
[M+HCOO]- 293.13945 169.3
[M+CH3COO]- 307.15510 166.8
[M+Na-2H]- 269.11592 155.8
[M]+ 248.14070 154.4
[M]- 248.14180 154.4
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