CID 44151987

Cyclohexane-1,4-diylbis(methylene) diisobutyrate

Structural Information

Molecular Formula
C16H28O4
SMILES
CC(C)C(=O)OCC1CCC(CC1)COC(=O)C(C)C
InChI
InChI=1S/C16H28O4/c1-11(2)15(17)19-9-13-5-7-14(8-6-13)10-20-16(18)12(3)4/h11-14H,5-10H2,1-4H3
InChIKey
XKYOVTCKPSRDLG-UHFFFAOYSA-N
Compound name
[4-(2-methylpropanoyloxymethyl)cyclohexyl]methyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.19876 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.206036 170.5
[M+Na]+ 307.187978 172.4
[M-H]- 283.191484 172.4
[M+NH4]+ 302.232583 186.0
[M+K]+ 323.161918 172.4
[M+H-H2O]+ 267.196020 164.1
[M+HCOO]- 329.196961 185.7
[M+CH3COO]- 343.212611 203.2
[M+Na-2H]- 305.173426 166.7
[M]+ 284.19821142 170.8
[M]- 284.19930858 170.8
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

No patent data available for this compound.