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
3
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]+ 185.153606 143.2
[M+Na]+ 207.135548 148.5
[M-H]- 183.139054 149.1
[M+NH4]+ 202.180153 165.9
[M+K]+ 223.109488 149.2
[M+H-H2O]+ 167.143590 139.0
[M+HCOO]- 229.144531 162.7
[M+CH3COO]- 243.160181 178.9
[M+Na-2H]- 205.120996 147.4
[M]+ 184.14578142 142.0
[M]- 184.14687858 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

literature stripe

Patent stripe

patents stripe