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 141.2
[M+Na]+ 233.11482 145.2
[M-H]- 209.11832 146.6
[M+NH4]+ 228.15942 149.1
[M+K]+ 249.08876 150.1
[M+H-H2O]+ 193.12286 128.9
[M+HCOO]- 255.12380 157.2
[M+CH3COO]- 269.13945 198.3
[M+Na-2H]- 231.10027 145.2
[M]+ 210.12505 158.1
[M]- 210.12615 158.1
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.