CID 21059272

Dtxsid00889211

Structural Information

Molecular Formula
C17H28O2
SMILES
CC1C(C2=C(C1(C)C)C3C(CC2)OC(O3)(C)C)(C)C
InChI
InChI=1S/C17H28O2/c1-10-15(2,3)11-8-9-12-14(13(11)16(10,4)5)19-17(6,7)18-12/h10,12,14H,8-9H2,1-7H3
InChIKey
QFQQCCDAGARSEN-UHFFFAOYSA-N
Compound name
2,2,6,6,7,8,8-heptamethyl-4,5,7,8b-tetrahydro-3aH-cyclopenta[g][1,3]benzodioxole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

98
Patents

264.20892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 157.6
[M+Na]+ 287.198138 168.0
[M-H]- 263.201644 164.7
[M+NH4]+ 282.242743 184.4
[M+K]+ 303.172078 166.4
[M+H-H2O]+ 247.206180 155.7
[M+HCOO]- 309.207121 173.2
[M+CH3COO]- 323.222771 201.2
[M+Na-2H]- 285.183586 161.1
[M]+ 264.20837142 160.7
[M]- 264.20946858 160.7
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