CID 20845

2-methyl-1,4-dioxaspiro[4.5]decane

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1COC2(O1)CCCCC2
InChI
InChI=1S/C9H16O2/c1-8-7-10-9(11-8)5-3-2-4-6-9/h8H,2-7H2,1H3
InChIKey
LKGNKCNAPNUZCM-UHFFFAOYSA-N
Compound name
3-methyl-1,4-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

81
Patents

156.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 134.2
[M+Na]+ 179.10426 144.5
[M+NH4]+ 174.14886 145.3
[M+K]+ 195.07820 139.0
[M-H]- 155.10776 139.6
[M+Na-2H]- 177.08971 139.7
[M]+ 156.11449 137.3
[M]- 156.11559 137.3
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