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

182
Patents

238.19328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 156.2
[M+Na]+ 261.182498 165.3
[M-H]- 237.186004 164.8
[M+NH4]+ 256.227103 174.2
[M+K]+ 277.156438 167.5
[M+H-H2O]+ 221.190540 151.6
[M+HCOO]- 283.191481 168.6
[M+CH3COO]- 297.207131 197.1
[M+Na-2H]- 259.167946 163.1
[M]+ 238.19273142 158.6
[M]- 238.19382858 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