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
3
Annotation Hits

0
References

190
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 157.6
[M+Na]+ 273.18250 165.6
[M-H]- 249.18600 163.8
[M+NH4]+ 268.22710 180.7
[M+K]+ 289.15644 164.5
[M+H-H2O]+ 233.19054 153.2
[M+HCOO]- 295.19148 171.3
[M+CH3COO]- 309.20713 170.0
[M+Na-2H]- 271.16795 161.8
[M]+ 250.19273 157.2
[M]- 250.19383 157.2
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