CID 75208

1,4-dioxaspiro[4.5]decane, 8-(1,1-dimethylethyl)-

Structural Information

Molecular Formula
C12H22O2
SMILES
CC(C)(C)C1CCC2(CC1)OCCO2
InChI
InChI=1S/C12H22O2/c1-11(2,3)10-4-6-12(7-5-10)13-8-9-14-12/h10H,4-9H2,1-3H3
InChIKey
SCKWSYISXZVCQC-UHFFFAOYSA-N
Compound name
8-tert-butyl-1,4-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

198.16199 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 145.9
[M+Na]+ 221.15121 150.5
[M-H]- 197.15471 151.8
[M+NH4]+ 216.19581 166.6
[M+K]+ 237.12515 151.6
[M+H-H2O]+ 181.15925 141.6
[M+HCOO]- 243.16019 161.5
[M+CH3COO]- 257.17584 181.5
[M+Na-2H]- 219.13666 152.1
[M]+ 198.16144 142.5
[M]- 198.16254 142.5
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