CID 166504

2-butyl-1,4-dioxaspiro[4.4]nonane

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCCC1COC2(O1)CCCC2
InChI
InChI=1S/C11H20O2/c1-2-3-6-10-9-12-11(13-10)7-4-5-8-11/h10H,2-9H2,1H3
InChIKey
RZZUCKICOCVJJN-UHFFFAOYSA-N
Compound name
3-butyl-1,4-dioxaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

184.14633 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 143.2
[M+Na]+ 207.13555 148.5
[M-H]- 183.13905 149.1
[M+NH4]+ 202.18015 165.9
[M+K]+ 223.10949 149.2
[M+H-H2O]+ 167.14359 139.0
[M+HCOO]- 229.14453 162.7
[M+CH3COO]- 243.16018 178.9
[M+Na-2H]- 205.12100 147.4
[M]+ 184.14578 142.0
[M]- 184.14688 142.0
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.