CID 59018943

Decahydro-2,2,7,7,8,9,9-heptamethylindeno(4,3a-b)furan

Structural Information

Molecular Formula
C18H32O
SMILES
CC1C(C2CCCC3C2(C1(C)C)CC(O3)(C)C)(C)C
InChI
InChI=1S/C18H32O/c1-12-16(4,5)13-9-8-10-14-18(13,17(12,6)7)11-15(2,3)19-14/h12-14H,8-11H2,1-7H3
InChIKey
SVKODZVCLKPVPY-UHFFFAOYSA-N
Compound name
2,2,7,7,8,9,9-heptamethyl-3a,4,5,6,6a,8-hexahydro-1H-cyclopenta[d][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

264.24533 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.252606 158.5
[M+Na]+ 287.234548 167.3
[M-H]- 263.238054 165.1
[M+NH4]+ 282.279153 187.7
[M+K]+ 303.208488 164.4
[M+H-H2O]+ 247.242590 155.9
[M+HCOO]- 309.243531 173.5
[M+CH3COO]- 323.259181 201.1
[M+Na-2H]- 285.219996 161.0
[M]+ 264.24478142 158.5
[M]- 264.24587858 158.5
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

patents stripe