CID 57357974

2,6,6,7,8,8-hexamethyldecahydro-2h-indeno[4,5-b]furan

Structural Information

Molecular Formula
C17H30O
SMILES
CC1CC2CCC3C(C2O1)C(C(C3(C)C)C)(C)C
InChI
InChI=1S/C17H30O/c1-10-9-12-7-8-13-14(15(12)18-10)17(5,6)11(2)16(13,3)4/h10-15H,7-9H2,1-6H3
InChIKey
YFHKETGXYQOMGB-UHFFFAOYSA-N
Compound name
2,6,6,7,8,8-hexamethyl-3,3a,4,5,5a,7,8a,8b-octahydro-2H-cyclopenta[g][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

316
Patents

250.22966 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.236936 160.8
[M+Na]+ 273.218878 169.1
[M-H]- 249.222384 166.5
[M+NH4]+ 268.263483 187.3
[M+K]+ 289.192818 166.0
[M+H-H2O]+ 233.226920 157.9
[M+HCOO]- 295.227861 175.6
[M+CH3COO]- 309.243511 199.5
[M+Na-2H]- 271.204326 160.7
[M]+ 250.22911142 159.7
[M]- 250.23020858 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe