CID 21960538

Propylene glycol diethylhexanoate

Structural Information

Molecular Formula
C19H36O4
SMILES
CCCCC(CC)C(=O)OCC(C)OC(=O)C(CC)CCCC
InChI
InChI=1S/C19H36O4/c1-6-10-12-16(8-3)18(20)22-14-15(5)23-19(21)17(9-4)13-11-7-2/h15-17H,6-14H2,1-5H3
InChIKey
RYKSMKFLIHUEBL-UHFFFAOYSA-N
Compound name
2-(2-ethylhexanoyloxy)propyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1616
Patents

328.26135 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.26863 185.0
[M+Na]+ 351.25057 190.5
[M+NH4]+ 346.29517 188.8
[M+K]+ 367.22451 186.6
[M-H]- 327.25407 181.4
[M+Na-2H]- 349.23602 183.0
[M]+ 328.26080 184.2
[M]- 328.26190 184.2
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