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
3
Annotation Hits

0
References

182
Patents

264.24533 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.25261 161.9
[M+Na]+ 287.23455 170.8
[M-H]- 263.23805 167.8
[M+NH4]+ 282.27915 189.8
[M+K]+ 303.20849 167.5
[M+H-H2O]+ 247.24259 159.4
[M+HCOO]- 309.24353 176.4
[M+CH3COO]- 323.25918 202.3
[M+Na-2H]- 285.22000 162.8
[M]+ 264.24478 161.6
[M]- 264.24588 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