CID 6453050

54661-53-9

Structural Information

Molecular Formula
C27H36O2
SMILES
CC1(CC(C2=C1C=C(C(=C2)O)CC3=CC4=C(C=C3O)C(CC4(C)C)(C)C)(C)C)C
InChI
InChI=1S/C27H36O2/c1-24(2)14-26(5,6)20-12-22(28)16(10-18(20)24)9-17-11-19-21(13-23(17)29)27(7,8)15-25(19,3)4/h10-13,28-29H,9,14-15H2,1-8H3
InChIKey
COLYSLCNGKYMCR-UHFFFAOYSA-N
Compound name
6-[(6-hydroxy-1,1,3,3-tetramethyl-2H-inden-5-yl)methyl]-1,1,3,3-tetramethyl-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.27155 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.27883 191.4
[M+Na]+ 415.26077 203.6
[M-H]- 391.26427 199.0
[M+NH4]+ 410.30537 216.6
[M+K]+ 431.23471 196.0
[M+H-H2O]+ 375.26881 187.5
[M+HCOO]- 437.26975 206.8
[M+CH3COO]- 451.28540 202.9
[M+Na-2H]- 413.24622 190.9
[M]+ 392.27100 195.5
[M]- 392.27210 195.5
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

No patent data available for this compound.