CID 109136

68039-79-2

Structural Information

Molecular Formula
C12H18O2
SMILES
COC(=O)C1CCC2C1C3CCC2C3
InChI
InChI=1S/C12H18O2/c1-14-12(13)10-5-4-9-7-2-3-8(6-7)11(9)10/h7-11H,2-6H2,1H3
InChIKey
VFUFLBSJNLHZJW-UHFFFAOYSA-N
Compound name
methyl tricyclo[5.2.1.02,6]decane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 149.6
[M+Na]+ 217.11990 156.1
[M-H]- 193.12340 153.2
[M+NH4]+ 212.16450 176.8
[M+K]+ 233.09384 154.0
[M+H-H2O]+ 177.12794 146.3
[M+HCOO]- 239.12888 168.4
[M+CH3COO]- 253.14453 184.9
[M+Na-2H]- 215.10535 148.9
[M]+ 194.13013 148.7
[M]- 194.13123 148.7
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.