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 141.8
[M+Na]+ 231.13555 151.5
[M-H]- 207.13905 148.0
[M+NH4]+ 226.18015 171.7
[M+K]+ 247.10949 150.8
[M+H-H2O]+ 191.14359 139.1
[M+HCOO]- 253.14453 159.0
[M+CH3COO]- 267.16018 156.2
[M+Na-2H]- 229.12100 150.9
[M]+ 208.14578 144.4
[M]- 208.14688 144.4
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

No patent data available for this compound.