CID 15552386

Pentamethyl octahydroindenodioxane

Structural Information

Molecular Formula
C16H26O2
SMILES
CC1C(C2=C(C1(C)C)C3C(CC2)COCO3)(C)C
InChI
InChI=1S/C16H26O2/c1-10-15(2,3)12-7-6-11-8-17-9-18-14(11)13(12)16(10,4)5/h10-11,14H,6-9H2,1-5H3
InChIKey
NJQDALIDWNJDSW-UHFFFAOYSA-N
Compound name
7,7,8,9,9-pentamethyl-4,4a,5,6,8,9b-hexahydrocyclopenta[h][1,3]benzodioxine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

188
Patents

250.19328 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 158.6
[M+Na]+ 273.18250 170.0
[M+NH4]+ 268.22710 171.3
[M+K]+ 289.15644 161.7
[M-H]- 249.18600 164.1
[M+Na-2H]- 271.16795 162.4
[M]+ 250.19273 162.2
[M]- 250.19383 162.2
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