CID 348849

Dipropyl cyclohexane-1,2-dicarboxylate

Structural Information

Molecular Formula
C14H24O4
SMILES
CCCOC(=O)C1CCCCC1C(=O)OCCC
InChI
InChI=1S/C14H24O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h11-12H,3-10H2,1-2H3
InChIKey
AGEFUZCBLJQXIA-UHFFFAOYSA-N
Compound name
dipropyl cyclohexane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

256.16745 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 161.9
[M+Na]+ 279.15667 165.1
[M-H]- 255.16017 164.0
[M+NH4]+ 274.20127 178.6
[M+K]+ 295.13061 164.5
[M+H-H2O]+ 239.16471 155.4
[M+HCOO]- 301.16565 179.7
[M+CH3COO]- 315.18130 195.4
[M+Na-2H]- 277.14212 161.4
[M]+ 256.16690 162.7
[M]- 256.16800 162.7
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