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
2
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]+ 173.153606 139.0
[M+Na]+ 195.135548 144.9
[M-H]- 171.139054 143.4
[M+NH4]+ 190.180153 159.0
[M+K]+ 211.109488 146.7
[M+H-H2O]+ 155.143590 134.3
[M+HCOO]- 217.144531 157.5
[M+CH3COO]- 231.160181 180.2
[M+Na-2H]- 193.120996 146.3
[M]+ 172.14578142 139.9
[M]- 172.14687858 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.