CID 113603

102110-10-1

Structural Information

Molecular Formula
C20H32O4
SMILES
CCCC(=O)OCC1(CCC2C1C3CCC2C3)COC(=O)CCC
InChI
InChI=1S/C20H32O4/c1-3-5-17(21)23-12-20(13-24-18(22)6-4-2)10-9-16-14-7-8-15(11-14)19(16)20/h14-16,19H,3-13H2,1-2H3
InChIKey
HPHBKSDLFUQCJC-UHFFFAOYSA-N
Compound name
[3-(butanoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23007 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.237346 191.3
[M+Na]+ 359.219288 194.9
[M-H]- 335.222794 193.6
[M+NH4]+ 354.263893 214.4
[M+K]+ 375.193228 191.8
[M+H-H2O]+ 319.227330 187.7
[M+HCOO]- 381.228271 206.7
[M+CH3COO]- 395.243921 211.1
[M+Na-2H]- 357.204736 187.0
[M]+ 336.22952142 194.7
[M]- 336.23061858 194.7
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.