CID 6452386

51252-88-1

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

1345
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 164.4
[M+Na]+ 307.11520 170.3
[M+NH4]+ 302.15980 168.1
[M+K]+ 323.08914 168.4
[M-H]- 283.11870 161.5
[M+Na-2H]- 305.10065 163.8
[M]+ 284.12543 163.6
[M]- 284.12653 163.6
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