CID 6454132

2-butyl-2,4-dimethyl-1,3-dioxane

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCCC1(OCCC(O1)C)C
InChI
InChI=1S/C10H20O2/c1-4-5-7-10(3)11-8-6-9(2)12-10/h9H,4-8H2,1-3H3
InChIKey
OJNPEUTUBVMNQK-UHFFFAOYSA-N
Compound name
2-butyl-2,4-dimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 139.0
[M+Na]+ 195.13555 144.9
[M-H]- 171.13905 143.4
[M+NH4]+ 190.18015 159.0
[M+K]+ 211.10949 146.7
[M+H-H2O]+ 155.14359 134.3
[M+HCOO]- 217.14453 157.5
[M+CH3COO]- 231.16018 180.2
[M+Na-2H]- 193.12100 146.3
[M]+ 172.14578 139.9
[M]- 172.14688 139.9
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.