CID 21118411

Ethyl 2,5-endomethylenecyclohexanecarboxylate

Structural Information

Molecular Formula
C10H16O2
SMILES
CCOC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2
InChI
InChI=1S/C10H16O2/c1-2-12-10(11)9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3/t7-,8+,9-/m1/s1
InChIKey
CIHQTYMOCREEQU-HRDYMLBCSA-N
Compound name
ethyl (1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 138.2
[M+Na]+ 191.10426 146.1
[M+NH4]+ 186.14886 147.3
[M+K]+ 207.07820 144.3
[M-H]- 167.10776 138.0
[M+Na-2H]- 189.08971 139.0
[M]+ 168.11449 138.9
[M]- 168.11559 138.9
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.