CID 88260

Diethyl tetradecanedioate

Structural Information

Molecular Formula
C18H34O4
SMILES
CCOC(=O)CCCCCCCCCCCCC(=O)OCC
InChI
InChI=1S/C18H34O4/c1-3-21-17(19)15-13-11-9-7-5-6-8-10-12-14-16-18(20)22-4-2/h3-16H2,1-2H3
InChIKey
XXYWYFSQJPFXBD-UHFFFAOYSA-N
Compound name
diethyl tetradecanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

314.2457 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.252976 183.8
[M+Na]+ 337.234918 186.2
[M-H]- 313.238424 182.0
[M+NH4]+ 332.279523 198.5
[M+K]+ 353.208858 184.5
[M+H-H2O]+ 297.242960 176.8
[M+HCOO]- 359.243901 203.0
[M+CH3COO]- 373.259551 209.5
[M+Na-2H]- 335.220366 182.1
[M]+ 314.24515142 192.6
[M]- 314.24624858 192.6
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