CID 18783826

193903-32-1

Structural Information

Molecular Formula
C11H18O4
SMILES
CCOC(=O)CC1CCC(CC1)C(=O)O
InChI
InChI=1S/C11H18O4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKey
MHKFPZVBEMBDHC-UHFFFAOYSA-N
Compound name
4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

214.12051 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 148.6
[M+Na]+ 237.109728 152.5
[M-H]- 213.113234 149.7
[M+NH4]+ 232.154333 166.2
[M+K]+ 253.083668 151.7
[M+H-H2O]+ 197.117770 142.9
[M+HCOO]- 259.118711 165.9
[M+CH3COO]- 273.134361 184.5
[M+Na-2H]- 235.095176 149.2
[M]+ 214.11996142 146.5
[M]- 214.12105858 146.5
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