CID 5260295

72258-83-4

Structural Information

Molecular Formula
C13H22O2
SMILES
CC(C)(C)C1CCC2(CC1)CCC(=O)O2
InChI
InChI=1S/C13H22O2/c1-12(2,3)10-4-7-13(8-5-10)9-6-11(14)15-13/h10H,4-9H2,1-3H3
InChIKey
KNLQQGJLNMJBQL-UHFFFAOYSA-N
Compound name
8-tert-butyl-1-oxaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

210.16199 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 149.2
[M+Na]+ 233.151208 154.5
[M-H]- 209.154714 154.8
[M+NH4]+ 228.195813 170.9
[M+K]+ 249.125148 153.8
[M+H-H2O]+ 193.159250 144.9
[M+HCOO]- 255.160191 165.6
[M+CH3COO]- 269.175841 184.6
[M+Na-2H]- 231.136656 153.4
[M]+ 210.16144142 145.3
[M]- 210.16253858 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe