CID 131752035

2,2,6,7-tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol

Structural Information

Molecular Formula
C13H20O2
SMILES
C[C@@]12C=CCC(C1=C[C@H]([C@]2(C)O)O)(C)C
InChI
InChI=1S/C13H20O2/c1-11(2)6-5-7-12(3)9(11)8-10(14)13(12,4)15/h5,7-8,10,14-15H,6H2,1-4H3/t10-,12-,13+/m1/s1
InChIKey
SKBCVUCDJRKPAH-RTXFEEFZSA-N
Compound name
(1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 144.8
[M+Na]+ 231.13555 154.9
[M-H]- 207.13905 147.7
[M+NH4]+ 226.18015 172.0
[M+K]+ 247.10949 151.3
[M+H-H2O]+ 191.14359 142.5
[M+HCOO]- 253.14453 163.2
[M+CH3COO]- 267.16018 183.1
[M+Na-2H]- 229.12100 150.7
[M]+ 208.14578 144.5
[M]- 208.14688 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.