CID 11829539

4,4-dimethyl-1-oxaspiro[2.5]octane

Structural Information

Molecular Formula
C9H16O
SMILES
CC1(CCCCC12CO2)C
InChI
InChI=1S/C9H16O/c1-8(2)5-3-4-6-9(8)7-10-9/h3-7H2,1-2H3
InChIKey
WYELSWCDEIETOL-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1-oxaspiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 131.9
[M+Na]+ 163.109338 140.4
[M-H]- 139.112844 139.3
[M+NH4]+ 158.153943 151.5
[M+K]+ 179.083278 142.0
[M+H-H2O]+ 123.117380 127.4
[M+HCOO]- 185.118321 150.9
[M+CH3COO]- 199.133971 176.3
[M+Na-2H]- 161.094786 141.0
[M]+ 140.11957142 132.4
[M]- 140.12066858 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.