CID 104575

53718-37-9

Structural Information

Molecular Formula
C20H30O
SMILES
CC1(CC(C2=C3C(=C(C=C21)O)C(CC3(C)C)(C)C)(C)C)C
InChI
InChI=1S/C20H30O/c1-17(2)10-18(3,4)14-12(17)9-13(21)15-16(14)20(7,8)11-19(15,5)6/h9,21H,10-11H2,1-8H3
InChIKey
QZWNGYFKEJRJAG-UHFFFAOYSA-N
Compound name
1,1,3,3,6,6,8,8-octamethyl-2,7-dihydro-as-indacen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.22968 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.23696 162.4
[M+Na]+ 309.21890 175.1
[M-H]- 285.22240 168.2
[M+NH4]+ 304.26350 192.6
[M+K]+ 325.19284 169.2
[M+H-H2O]+ 269.22694 160.5
[M+HCOO]- 331.22788 180.3
[M+CH3COO]- 345.24353 205.7
[M+Na-2H]- 307.20435 165.2
[M]+ 286.22913 166.1
[M]- 286.23023 166.1
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