CID 24990

Diethyl cyclohexane-1,2-dicarboxylate

Structural Information

Molecular Formula
C12H20O4
SMILES
CCOC(=O)C1CCCCC1C(=O)OCC
InChI
InChI=1S/C12H20O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h9-10H,3-8H2,1-2H3
InChIKey
ZTUZDYWYNQDJKR-UHFFFAOYSA-N
Compound name
diethyl cyclohexane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

961
Patents

228.13615 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14343 152.6
[M+Na]+ 251.12537 156.7
[M-H]- 227.12887 155.1
[M+NH4]+ 246.16997 170.5
[M+K]+ 267.09931 156.6
[M+H-H2O]+ 211.13341 146.6
[M+HCOO]- 273.13435 171.2
[M+CH3COO]- 287.15000 189.4
[M+Na-2H]- 249.11082 153.3
[M]+ 228.13560 152.7
[M]- 228.13670 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