CID 44147640

84642-68-2

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(C)C(=O)OCC1CC2CC1C3C2CCC3
InChI
InChI=1S/C15H24O2/c1-9(2)15(16)17-8-11-6-10-7-14(11)13-5-3-4-12(10)13/h9-14H,3-8H2,1-2H3
InChIKey
XUTGZCOUWNUKQS-UHFFFAOYSA-N
Compound name
8-tricyclo[5.2.1.02,6]decanylmethyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

236.17763 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 164.7
[M+Na]+ 259.166848 169.5
[M-H]- 235.170354 167.9
[M+NH4]+ 254.211453 190.1
[M+K]+ 275.140788 167.2
[M+H-H2O]+ 219.174890 161.1
[M+HCOO]- 281.175831 181.4
[M+CH3COO]- 295.191481 194.6
[M+Na-2H]- 257.152296 161.2
[M]+ 236.17708142 164.1
[M]- 236.17817858 164.1
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