CID 3440569

4,12,12-trimethyl-5-oxatricyclo[8.2.0.0^{4,6}]dodecan-9-one

Structural Information

Molecular Formula
C14H22O2
SMILES
CC1(CC2C1CCC3(C(O3)CCC2=O)C)C
InChI
InChI=1S/C14H22O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h9-10,12H,4-8H2,1-3H3
InChIKey
UETZJEZFLKASPR-UHFFFAOYSA-N
Compound name
4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

222.16199 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 149.7
[M+Na]+ 245.15121 151.3
[M+NH4]+ 240.19581 151.4
[M+K]+ 261.12515 151.6
[M-H]- 221.15471 151.1
[M+Na-2H]- 243.13666 152.0
[M]+ 222.16144 150.5
[M]- 222.16254 150.5
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

patents stripe