CID 143870

1,3-diethyl cyclohexane-1,3-dicarboxylate

Structural Information

Molecular Formula
C12H20O4
SMILES
CCOC(=O)C1CCCC(C1)C(=O)OCC
InChI
InChI=1S/C12H20O4/c1-3-15-11(13)9-6-5-7-10(8-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3
InChIKey
MAQGUOIUBYAVNL-UHFFFAOYSA-N
Compound name
diethyl cyclohexane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

228.13615 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.143426 152.6
[M+Na]+ 251.125368 156.7
[M-H]- 227.128874 155.1
[M+NH4]+ 246.169973 170.5
[M+K]+ 267.099308 156.6
[M+H-H2O]+ 211.133410 146.6
[M+HCOO]- 273.134351 171.2
[M+CH3COO]- 287.150001 189.4
[M+Na-2H]- 249.110816 153.3
[M]+ 228.13560142 152.7
[M]- 228.13669858 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe