CID 3022862

7-methoxy-3,3-dimethylindan-4-ol

Structural Information

Molecular Formula
C12H16O2
SMILES
CC1(CCC2=C(C=CC(=C21)O)OC)C
InChI
InChI=1S/C12H16O2/c1-12(2)7-6-8-10(14-3)5-4-9(13)11(8)12/h4-5,13H,6-7H2,1-3H3
InChIKey
CVXVMAKCTVIFGM-UHFFFAOYSA-N
Compound name
7-methoxy-3,3-dimethyl-1,2-dihydroinden-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 140.9
[M+Na]+ 215.104258 150.8
[M-H]- 191.107764 145.0
[M+NH4]+ 210.148863 165.5
[M+K]+ 231.078198 147.9
[M+H-H2O]+ 175.112300 136.9
[M+HCOO]- 237.113241 162.7
[M+CH3COO]- 251.128891 182.5
[M+Na-2H]- 213.089706 146.1
[M]+ 192.11449142 142.6
[M]- 192.11558858 142.6
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.