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]+ 209.153606 144.8
[M+Na]+ 231.135548 154.9
[M-H]- 207.139054 147.7
[M+NH4]+ 226.180153 172.0
[M+K]+ 247.109488 151.3
[M+H-H2O]+ 191.143590 142.5
[M+HCOO]- 253.144531 163.2
[M+CH3COO]- 267.160181 183.1
[M+Na-2H]- 229.120996 150.7
[M]+ 208.14578142 144.5
[M]- 208.14687858 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.