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
3
Annotation Hits

0
References

114
Patents

264.20892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 157.6
[M+Na]+ 287.19814 168.0
[M-H]- 263.20164 164.7
[M+NH4]+ 282.24274 184.4
[M+K]+ 303.17208 166.4
[M+H-H2O]+ 247.20618 155.7
[M+HCOO]- 309.20712 173.2
[M+CH3COO]- 323.22277 201.2
[M+Na-2H]- 285.18359 161.1
[M]+ 264.20837 160.7
[M]- 264.20947 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