CID 52521

Tert-butyl 1,alpha-epoxycyclohexylideneacetate

Structural Information

Molecular Formula
C12H20O3
SMILES
CC(C)(C)OC(=O)C1CCCC2(O1)CC2
InChI
InChI=1S/C12H20O3/c1-11(2,3)15-10(13)9-5-4-6-12(14-9)7-8-12/h9H,4-8H2,1-3H3
InChIKey
BQXGKJSFHPFNBH-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxaspiro[2.5]octane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14125 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 149.7
[M+Na]+ 235.13047 156.8
[M-H]- 211.13397 156.5
[M+NH4]+ 230.17507 164.7
[M+K]+ 251.10441 157.6
[M+H-H2O]+ 195.13851 144.7
[M+HCOO]- 257.13945 166.3
[M+CH3COO]- 271.15510 188.1
[M+Na-2H]- 233.11592 156.1
[M]+ 212.14070 152.0
[M]- 212.14180 152.0
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.