CID 109136

Methyl octahydro-4,7-methano-1h-indenecarboxylate

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 144.9
[M+Na]+ 217.11990 151.8
[M+NH4]+ 212.16450 154.6
[M+K]+ 233.09384 151.8
[M-H]- 193.12340 144.9
[M+Na-2H]- 215.10535 143.8
[M]+ 194.13013 145.5
[M]- 194.13123 145.5
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.