CID 3034844

Dipropylene glycol, dioctanoate

Structural Information

Molecular Formula
C22H42O5
SMILES
CCCCCCCC(=O)OC(C)COCC(C)OC(=O)CCCCCCC
InChI
InChI=1S/C22H42O5/c1-5-7-9-11-13-15-21(23)26-19(3)17-25-18-20(4)27-22(24)16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3
InChIKey
RHRLCJQIBMRCGA-UHFFFAOYSA-N
Compound name
1-(2-octanoyloxypropoxy)propan-2-yl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

386.30322 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.31050 205.1
[M+Na]+ 409.29244 205.4
[M-H]- 385.29594 202.7
[M+NH4]+ 404.33704 213.0
[M+K]+ 425.26638 204.3
[M+H-H2O]+ 369.30048 197.5
[M+HCOO]- 431.30142 213.4
[M+CH3COO]- 445.31707 224.7
[M+Na-2H]- 407.27789 198.9
[M]+ 386.30267 215.6
[M]- 386.30377 215.6
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