CID 6477292

Methyl 4-(diacetoxy-dimethyl-phenyl-dispiro[[?]]yl)pentanoate

Structural Information

Molecular Formula
C41H58O10
SMILES
CC(CCC(=O)OC)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCC(CC6)C7=CC=CC=C7)OO5)C)OC(=O)C)OC(=O)C)C
InChI
InChI=1S/C41H58O10/c1-25(12-15-36(44)45-6)31-13-14-32-37-33(23-35(39(31,32)5)47-27(3)43)38(4)20-21-41(24-30(38)22-34(37)46-26(2)42)50-48-40(49-51-41)18-16-29(17-19-40)28-10-8-7-9-11-28/h7-11,25,29-35,37H,12-24H2,1-6H3/t25?,29?,30-,31-,32?,33?,34+,35+,37?,38+,39-,40?,41?/m1/s1
InChIKey
IICPUGPYDJJKOI-RKHILTNFSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

710.403 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 711.41028 262.3
[M+Na]+ 733.39222 259.3
[M-H]- 709.39572 270.9
[M+NH4]+ 728.43682 265.6
[M+K]+ 749.36616 263.5
[M+H-H2O]+ 693.40026 251.7
[M+HCOO]- 755.40120 252.7
[M+CH3COO]- 769.41685 280.0
[M+Na-2H]- 731.37767 254.9
[M]+ 710.40245 259.2
[M]- 710.40355 259.2
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

No patent data available for this compound.