CID 107338

4791-69-9

Structural Information

Molecular Formula
C14H20O3
SMILES
CCOC(=O)C1C2(O1)CC3CC2C4C3CCC4
InChI
InChI=1S/C14H20O3/c1-2-16-13(15)12-14(17-12)7-8-6-11(14)10-5-3-4-9(8)10/h8-12H,2-7H2,1H3
InChIKey
GERTUMCUNLMNHD-UHFFFAOYSA-N
Compound name
ethyl spiro[oxirane-3,8'-tricyclo[5.2.1.02,6]decane]-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.14125 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 156.1
[M+Na]+ 259.13047 165.2
[M-H]- 235.13397 163.0
[M+NH4]+ 254.17507 177.4
[M+K]+ 275.10441 162.3
[M+H-H2O]+ 219.13851 153.7
[M+HCOO]- 281.13945 171.9
[M+CH3COO]- 295.15510 168.4
[M+Na-2H]- 257.11592 157.3
[M]+ 236.14070 160.1
[M]- 236.14180 160.1
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

No patent data available for this compound.