CID 3024821

1,1-dimethylindan-5,6-diol

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1(CCC2=CC(=C(C=C21)O)O)C
InChI
InChI=1S/C11H14O2/c1-11(2)4-3-7-5-9(12)10(13)6-8(7)11/h5-6,12-13H,3-4H2,1-2H3
InChIKey
WITVSXXDJMKFFE-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,2-dihydroindene-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

178.09938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 137.1
[M+Na]+ 201.088598 147.0
[M-H]- 177.092104 139.9
[M+NH4]+ 196.133203 161.5
[M+K]+ 217.062538 143.4
[M+H-H2O]+ 161.096640 133.5
[M+HCOO]- 223.097581 157.7
[M+CH3COO]- 237.113231 176.9
[M+Na-2H]- 199.074046 142.3
[M]+ 178.09883142 136.5
[M]- 178.09992858 136.5
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