CID 11043252

188199-50-0

Structural Information

Molecular Formula
C16H28O2
SMILES
CC(C)[C@H]1OCC[C@@]2(O1)C[C@H]3CC[C@@]2(C3(C)C)C
InChI
InChI=1S/C16H28O2/c1-11(2)13-17-9-8-16(18-13)10-12-6-7-15(16,5)14(12,3)4/h11-13H,6-10H2,1-5H3/t12-,13+,15-,16-/m1/s1
InChIKey
FIGQXHMXVPBTDV-OCVGTWLNSA-N
Compound name
(1'R,2S,4S,4'R)-1',7',7'-trimethyl-2-propan-2-ylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane]
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

252.20892 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 160.0
[M+Na]+ 275.19814 166.9
[M-H]- 251.20164 165.8
[M+NH4]+ 270.24274 186.1
[M+K]+ 291.17208 166.0
[M+H-H2O]+ 235.20618 157.2
[M+HCOO]- 297.20712 173.4
[M+CH3COO]- 311.22277 172.1
[M+Na-2H]- 273.18359 163.1
[M]+ 252.20837 159.4
[M]- 252.20947 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe