CID 105664

2-tert-butylcyclohexyl ethyl carbonate

Structural Information

Molecular Formula
C13H24O3
SMILES
CCOC(=O)OC1CCCCC1C(C)(C)C
InChI
InChI=1S/C13H24O3/c1-5-15-12(14)16-11-9-7-6-8-10(11)13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKey
ZHWLEUGSDGROJS-UHFFFAOYSA-N
Compound name
(2-tert-butylcyclohexyl) ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2631
Patents

228.17255 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.17983 154.8
[M+Na]+ 251.16177 163.6
[M+NH4]+ 246.20637 161.9
[M+K]+ 267.13571 158.9
[M-H]- 227.16527 154.9
[M+Na-2H]- 249.14722 157.7
[M]+ 228.17200 155.9
[M]- 228.17310 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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