CID 3045302

4,6-dimethylindan-5-ol

Structural Information

Molecular Formula
C11H14O
SMILES
CC1=CC2=C(CCC2)C(=C1O)C
InChI
InChI=1S/C11H14O/c1-7-6-9-4-3-5-10(9)8(2)11(7)12/h6,12H,3-5H2,1-2H3
InChIKey
XWKMVRQWLRRRBO-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2,3-dihydro-1H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

162.10446 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 133.7
[M+Na]+ 185.093678 143.1
[M-H]- 161.097184 137.6
[M+NH4]+ 180.138283 157.5
[M+K]+ 201.067618 139.8
[M+H-H2O]+ 145.101720 129.3
[M+HCOO]- 207.102661 155.6
[M+CH3COO]- 221.118311 177.9
[M+Na-2H]- 183.079126 138.1
[M]+ 162.10391142 133.2
[M]- 162.10500858 133.2
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

patents stripe