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 147.8
[M+Na]+ 245.15121 159.0
[M-H]- 221.15471 152.2
[M+NH4]+ 240.19581 152.6
[M+K]+ 261.12515 156.1
[M+H-H2O]+ 205.15925 145.7
[M+HCOO]- 267.16019 154.1
[M+CH3COO]- 281.17584 155.7
[M+Na-2H]- 243.13666 158.7
[M]+ 222.16144 153.3
[M]- 222.16254 153.3
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