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
3
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 156.2
[M+Na]+ 261.18250 165.3
[M-H]- 237.18600 164.8
[M+NH4]+ 256.22710 174.2
[M+K]+ 277.15644 167.5
[M+H-H2O]+ 221.19054 151.6
[M+HCOO]- 283.19148 168.6
[M+CH3COO]- 297.20713 197.1
[M+Na-2H]- 259.16795 163.1
[M]+ 238.19273 158.6
[M]- 238.19383 158.6
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