CID 73817712

Qxhorpljtihqgr-uhfffaoysa-n

Structural Information

Molecular Formula
C13H20O2
SMILES
CC1(CC=CC2(C13CCC(O2)(O3)C)C)C
InChI
InChI=1S/C13H20O2/c1-10(2)6-5-7-11(3)13(10)9-8-12(4,14-11)15-13/h5,7H,6,8-9H2,1-4H3
InChIKey
QXHORPLJTIHQGR-UHFFFAOYSA-N
Compound name
2,2,6,8-tetramethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 142.9
[M+Na]+ 231.13555 152.6
[M+NH4]+ 226.18015 158.4
[M+K]+ 247.10949 143.6
[M-H]- 207.13905 146.9
[M+Na-2H]- 229.12100 149.7
[M]+ 208.14578 146.2
[M]- 208.14688 146.2
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

No patent data available for this compound.