CID 155858921

2580205-13-4

Structural Information

Molecular Formula
C12H18O3
SMILES
CC(C)(C)OC(=O)C1CC2(C1)CCC2=O
InChI
InChI=1S/C12H18O3/c1-11(2,3)15-10(14)8-6-12(7-8)5-4-9(12)13/h8H,4-7H2,1-3H3
InChIKey
XEYLLMKUAPNTOR-UHFFFAOYSA-N
Compound name
tert-butyl 7-oxospiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13288 155.2
[M+Na]+ 233.11482 155.3
[M+NH4]+ 228.15942 155.6
[M+K]+ 249.08876 153.3
[M-H]- 209.11832 150.2
[M+Na-2H]- 231.10027 154.3
[M]+ 210.12505 151.6
[M]- 210.12615 151.6
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.