CID 86577

Monoethyl cyclohexane-1,2-dicarboxylate

Structural Information

Molecular Formula
C10H16O4
SMILES
CCOC(=O)C1CCCCC1C(=O)O
InChI
InChI=1S/C10H16O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)
InChIKey
XGRJGTBLDJAHTL-UHFFFAOYSA-N
Compound name
2-ethoxycarbonylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

200.10486 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 144.5
[M+Na]+ 223.09408 152.8
[M+NH4]+ 218.13868 150.9
[M+K]+ 239.06802 149.2
[M-H]- 199.09758 143.8
[M+Na-2H]- 221.07953 146.7
[M]+ 200.10431 145.0
[M]- 200.10541 145.0
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

No patent data available for this compound.