CID 14271012

2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane

Structural Information

Molecular Formula
C12H22O2
SMILES
CCC1CCCC2(O1)CCCC(O2)C
InChI
InChI=1S/C12H22O2/c1-3-11-7-5-9-12(14-11)8-4-6-10(2)13-12/h10-11H,3-9H2,1-2H3
InChIKey
ICQGEBLJYVWKBA-UHFFFAOYSA-N
Compound name
2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

198.16199 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 146.3
[M+Na]+ 221.15121 150.3
[M-H]- 197.15471 152.1
[M+NH4]+ 216.19581 165.1
[M+K]+ 237.12515 151.3
[M+H-H2O]+ 181.15925 140.4
[M+HCOO]- 243.16019 161.2
[M+CH3COO]- 257.17584 183.4
[M+Na-2H]- 219.13666 152.2
[M]+ 198.16144 141.6
[M]- 198.16254 141.6
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