CID 3022313

93777-78-7

Structural Information

Molecular Formula
C20H32O
SMILES
CC1CC(C2=CC(=C(C=C12)O)C(C)(C)CC(C)(C)C)(C)C
InChI
InChI=1S/C20H32O/c1-13-11-19(5,6)15-10-16(17(21)9-14(13)15)20(7,8)12-18(2,3)4/h9-10,13,21H,11-12H2,1-8H3
InChIKey
VCGAWURZAAIEEA-UHFFFAOYSA-N
Compound name
1,1,3-trimethyl-6-(2,4,4-trimethylpentan-2-yl)-2,3-dihydroinden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.24533 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.252606 172.5
[M+Na]+ 311.234548 180.7
[M-H]- 287.238054 176.1
[M+NH4]+ 306.279153 193.9
[M+K]+ 327.208488 176.7
[M+H-H2O]+ 271.242590 169.2
[M+HCOO]- 333.243531 188.1
[M+CH3COO]- 347.259181 206.1
[M+Na-2H]- 309.219996 175.0
[M]+ 288.24478142 174.9
[M]- 288.24587858 174.9
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.