CID 59018943

K8r4083bcl

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
3
Annotation Hits

0
References

45
Patents

264.24533 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.25261 158.5
[M+Na]+ 287.23455 167.3
[M-H]- 263.23805 165.1
[M+NH4]+ 282.27915 187.7
[M+K]+ 303.20849 164.4
[M+H-H2O]+ 247.24259 155.9
[M+HCOO]- 309.24353 173.5
[M+CH3COO]- 323.25918 201.1
[M+Na-2H]- 285.22000 161.0
[M]+ 264.24478 158.5
[M]- 264.24588 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