CID 89813

2-(2-hydroxyethoxy)ethyl cyclohexanecarboxylate

Structural Information

Molecular Formula
C11H20O4
SMILES
C1CCC(CC1)C(=O)OCCOCCO
InChI
InChI=1S/C11H20O4/c12-6-7-14-8-9-15-11(13)10-4-2-1-3-5-10/h10,12H,1-9H2
InChIKey
IBDLWKKCNXTUCC-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

216.13615 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.143426 150.6
[M+Na]+ 239.125368 153.5
[M-H]- 215.128874 151.2
[M+NH4]+ 234.169973 167.9
[M+K]+ 255.099308 152.8
[M+H-H2O]+ 199.133410 144.3
[M+HCOO]- 261.134351 168.7
[M+CH3COO]- 275.150001 183.3
[M+Na-2H]- 237.110816 153.0
[M]+ 216.13560142 149.4
[M]- 216.13669858 149.4
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