CID 6452386

1,2-cyclohexanedicarboxylic acid, mono(2-((2-methyl-1-oxo-2-propenyl)oxy)ethyl) ester

Structural Information

Molecular Formula
C14H20O6
SMILES
CC(=C)C(=O)OCCOC(=O)C1CCCCC1C(=O)O
InChI
InChI=1S/C14H20O6/c1-9(2)13(17)19-7-8-20-14(18)11-6-4-3-5-10(11)12(15)16/h10-11H,1,3-8H2,2H3,(H,15,16)
InChIKey
GWFCWZQFUSJPRE-UHFFFAOYSA-N
Compound name
2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1580
Patents

284.12598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13326 163.6
[M+Na]+ 307.11520 166.3
[M-H]- 283.11870 164.4
[M+NH4]+ 302.15980 177.9
[M+K]+ 323.08914 165.9
[M+H-H2O]+ 267.12324 157.5
[M+HCOO]- 329.12418 178.8
[M+CH3COO]- 343.13983 197.5
[M+Na-2H]- 305.10065 160.7
[M]+ 284.12543 162.9
[M]- 284.12653 162.9
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