CID 540006

2,2,6,7-tetramethyl-10-oxatricyclo[4.3.0.1(1,7)]decan-5-one

Structural Information

Molecular Formula
C13H20O2
SMILES
CC1(CCC(=O)C2(C13CCC2(O3)C)C)C
InChI
InChI=1S/C13H20O2/c1-10(2)6-5-9(14)12(4)11(3)7-8-13(10,12)15-11/h5-8H2,1-4H3
InChIKey
ISABMWNDKIGJCM-UHFFFAOYSA-N
Compound name
2,2,6,7-tetramethyl-10-oxatricyclo[5.2.1.01,6]decan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.14633 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 149.6
[M+Na]+ 231.135548 158.0
[M-H]- 207.139054 154.6
[M+NH4]+ 226.180153 175.9
[M+K]+ 247.109488 157.5
[M+H-H2O]+ 191.143590 144.7
[M+HCOO]- 253.144531 164.0
[M+CH3COO]- 267.160181 162.7
[M+Na-2H]- 229.120996 157.6
[M]+ 208.14578142 162.8
[M]- 208.14687858 162.8
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

patents stripe