CID 92030006

476332-65-7

Structural Information

Molecular Formula
C18H32O
SMILES
CC1C(C2CCC3CC(OC3C2C1(C)C)(C)C)(C)C
InChI
InChI=1S/C18H32O/c1-11-17(4,5)13-9-8-12-10-16(2,3)19-15(12)14(13)18(11,6)7/h11-15H,8-10H2,1-7H3
InChIKey
HUYXPANWJVOYCI-UHFFFAOYSA-N
Compound name
2,2,6,6,7,8,8-heptamethyl-3,3a,4,5,5a,7,8a,8b-octahydrocyclopenta[g][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

154
Patents

264.24533 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.252606 161.9
[M+Na]+ 287.234548 170.8
[M-H]- 263.238054 167.8
[M+NH4]+ 282.279153 189.8
[M+K]+ 303.208488 167.5
[M+H-H2O]+ 247.242590 159.4
[M+HCOO]- 309.243531 176.4
[M+CH3COO]- 323.259181 202.3
[M+Na-2H]- 285.219996 162.8
[M]+ 264.24478142 161.6
[M]- 264.24587858 161.6
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