CID 112064

10527-11-4

Structural Information

Molecular Formula
C18H20O2
SMILES
CC1(CC(C2=C1C=CC(=C2)O)(C)C3=CC=C(C=C3)O)C
InChI
InChI=1S/C18H20O2/c1-17(2)11-18(3,12-4-6-13(19)7-5-12)16-10-14(20)8-9-15(16)17/h4-10,19-20H,11H2,1-3H3
InChIKey
TUJHKTMBIVIOOV-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1281
Patents

268.14633 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 162.1
[M+Na]+ 291.13555 172.3
[M-H]- 267.13905 168.3
[M+NH4]+ 286.18015 184.8
[M+K]+ 307.10949 166.7
[M+H-H2O]+ 251.14359 156.9
[M+HCOO]- 313.14453 181.8
[M+CH3COO]- 327.16018 174.8
[M+Na-2H]- 289.12100 166.2
[M]+ 268.14578 162.3
[M]- 268.14688 162.3
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