CID 44152459

121251-67-0

Structural Information

Molecular Formula
C15H26O2
SMILES
C[C@H]1CC[C@H]2[C@H](C2(C)C)C13COC(OC3)(C)C
InChI
InChI=1S/C15H26O2/c1-10-6-7-11-12(13(11,2)3)15(10)8-16-14(4,5)17-9-15/h10-12H,6-9H2,1-5H3/t10-,11-,12+/m0/s1
InChIKey
ORHSGDMSYGKJJY-SDDRHHMPSA-N
Compound name
(1'R,3'S,6'S)-2,2,3',7',7'-pentamethylspiro[1,3-dioxane-5,2'-bicyclo[4.1.0]heptane]
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

238.19328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 156.7
[M+Na]+ 261.18250 170.2
[M+NH4]+ 256.22710 171.0
[M+K]+ 277.15644 160.3
[M-H]- 237.18600 170.2
[M+Na-2H]- 259.16795 166.3
[M]+ 238.19273 164.4
[M]- 238.19383 164.4
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