CID 12180071

Tert-butyl 1-oxaspiro[2.5]octane-6-carboxylate

Structural Information

Molecular Formula
C12H20O3
SMILES
CC(C)(C)OC(=O)C1CCC2(CC1)CO2
InChI
InChI=1S/C12H20O3/c1-11(2,3)15-10(13)9-4-6-12(7-5-9)8-14-12/h9H,4-8H2,1-3H3
InChIKey
RETJLOIXVGBOIJ-UHFFFAOYSA-N
Compound name
tert-butyl 1-oxaspiro[2.5]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14125 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 152.1
[M+Na]+ 235.13047 163.2
[M+NH4]+ 230.17507 161.9
[M+K]+ 251.10441 158.5
[M-H]- 211.13397 161.6
[M+Na-2H]- 233.11592 159.7
[M]+ 212.14070 157.6
[M]- 212.14180 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.