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
4
Annotation Hits

0
References

2573
Patents

328.26135 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.268626 188.7
[M+Na]+ 351.250568 190.2
[M-H]- 327.254074 187.0
[M+NH4]+ 346.295173 202.6
[M+K]+ 367.224508 189.7
[M+H-H2O]+ 311.258610 182.1
[M+HCOO]- 373.259551 204.7
[M+CH3COO]- 387.275201 215.0
[M+Na-2H]- 349.236016 182.8
[M]+ 328.26080142 196.0
[M]- 328.26189858 196.0
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