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
3
Annotation Hits

0
References

1601
Patents

284.12598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.133256 163.6
[M+Na]+ 307.115198 166.3
[M-H]- 283.118704 164.4
[M+NH4]+ 302.159803 177.9
[M+K]+ 323.089138 165.9
[M+H-H2O]+ 267.123240 157.5
[M+HCOO]- 329.124181 178.8
[M+CH3COO]- 343.139831 197.5
[M+Na-2H]- 305.100646 160.7
[M]+ 284.12543142 162.9
[M]- 284.12652858 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