CID 44153438

93803-42-0

Structural Information

Molecular Formula
C15H24O2
SMILES
CCCC(=O)OCC1CC2CC1C3C2CCC3
InChI
InChI=1S/C15H24O2/c1-2-4-15(16)17-9-11-7-10-8-14(11)13-6-3-5-12(10)13/h10-14H,2-9H2,1H3
InChIKey
LFVHSFZDXRXNDS-UHFFFAOYSA-N
Compound name
8-tricyclo[5.2.1.02,6]decanylmethyl butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 163.8
[M+Na]+ 259.166848 168.9
[M-H]- 235.170354 166.8
[M+NH4]+ 254.211453 189.3
[M+K]+ 275.140788 166.1
[M+H-H2O]+ 219.174890 160.0
[M+HCOO]- 281.175831 181.5
[M+CH3COO]- 295.191481 193.7
[M+Na-2H]- 257.152296 161.4
[M]+ 236.17708142 163.9
[M]- 236.17817858 163.9
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.