CID 21532

2-hexyl-2,4,5-trimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C12H24O2
SMILES
CCCCCCC1(OC(C(O1)C)C)C
InChI
InChI=1S/C12H24O2/c1-5-6-7-8-9-12(4)13-10(2)11(3)14-12/h10-11H,5-9H2,1-4H3
InChIKey
CRGQIKDUBQRGPL-UHFFFAOYSA-N
Compound name
2-hexyl-2,4,5-trimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.17763 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18491 147.1
[M+Na]+ 223.16685 157.4
[M+NH4]+ 218.21145 156.5
[M+K]+ 239.14079 151.7
[M-H]- 199.17035 150.8
[M+Na-2H]- 221.15230 150.8
[M]+ 200.17708 149.8
[M]- 200.17818 149.8
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

patents stripe