CID 155085

(5s,7s)-7-methyl-1,6-dioxaspiro[4.5]decane

Structural Information

Molecular Formula
C9H16O2
SMILES
C[C@H]1CCC[C@]2(O1)CCCO2
InChI
InChI=1S/C9H16O2/c1-8-4-2-5-9(11-8)6-3-7-10-9/h8H,2-7H2,1H3/t8-,9-/m0/s1
InChIKey
XNNASGSBOJGKAZ-IUCAKERBSA-N
Compound name
(5S,7S)-7-methyl-1,6-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

37
Patents

156.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 133.0
[M+Na]+ 179.10426 138.3
[M-H]- 155.10776 139.1
[M+NH4]+ 174.14886 155.1
[M+K]+ 195.07820 139.7
[M+H-H2O]+ 139.11230 128.3
[M+HCOO]- 201.11324 151.1
[M+CH3COO]- 215.12889 172.7
[M+Na-2H]- 177.08971 139.7
[M]+ 156.11449 129.0
[M]- 156.11559 129.0
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