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 154.0
[M-H]- 199.17035 151.6
[M+NH4]+ 218.21145 168.2
[M+K]+ 239.14079 154.9
[M+H-H2O]+ 183.17489 143.2
[M+HCOO]- 245.17583 167.0
[M+CH3COO]- 259.19148 187.2
[M+Na-2H]- 221.15230 151.6
[M]+ 200.17708 151.1
[M]- 200.17818 151.1
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