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

127
Patents

214.12051 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12779 148.6
[M+Na]+ 237.10973 152.5
[M-H]- 213.11323 149.7
[M+NH4]+ 232.15433 166.2
[M+K]+ 253.08367 151.7
[M+H-H2O]+ 197.11777 142.9
[M+HCOO]- 259.11871 165.9
[M+CH3COO]- 273.13436 184.5
[M+Na-2H]- 235.09518 149.2
[M]+ 214.11996 146.5
[M]- 214.12106 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