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]+ 289.25261 172.5
[M+Na]+ 311.23455 180.7
[M-H]- 287.23805 176.1
[M+NH4]+ 306.27915 193.9
[M+K]+ 327.20849 176.7
[M+H-H2O]+ 271.24259 169.2
[M+HCOO]- 333.24353 188.1
[M+CH3COO]- 347.25918 206.1
[M+Na-2H]- 309.22000 175.0
[M]+ 288.24478 174.9
[M]- 288.24588 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.