CID 31466

Trans-5-hexyl-2-isopropyl-1,3-dioxane

Structural Information

Molecular Formula
C13H26O2
SMILES
CCCCCCC1COC(OC1)C(C)C
InChI
InChI=1S/C13H26O2/c1-4-5-6-7-8-12-9-14-13(11(2)3)15-10-12/h11-13H,4-10H2,1-3H3
InChIKey
LIRCZIKSRNGLAW-UHFFFAOYSA-N
Compound name
5-hexyl-2-propan-2-yl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.19328 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.20056 153.6
[M+Na]+ 237.18250 163.9
[M+NH4]+ 232.22710 161.5
[M+K]+ 253.15644 158.0
[M-H]- 213.18600 157.8
[M+Na-2H]- 235.16795 156.2
[M]+ 214.19273 156.2
[M]- 214.19383 156.2
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.