CID 3034845

Dipropylene glycol, diheptanoate

Structural Information

Molecular Formula
C20H38O5
SMILES
CCCCCCC(=O)OC(C)COCC(C)OC(=O)CCCCCC
InChI
InChI=1S/C20H38O5/c1-5-7-9-11-13-19(21)24-17(3)15-23-16-18(4)25-20(22)14-12-10-8-6-2/h17-18H,5-16H2,1-4H3
InChIKey
ZSLIFBJQSGBWAD-UHFFFAOYSA-N
Compound name
1-(2-heptanoyloxypropoxy)propan-2-yl heptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.2719 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.27918 192.0
[M+Na]+ 381.26112 197.1
[M+NH4]+ 376.30572 208.4
[M+K]+ 397.23506 192.7
[M-H]- 357.26462 188.0
[M+Na-2H]- 379.24657 189.7
[M]+ 358.27135 191.0
[M]- 358.27245 191.0
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

No patent data available for this compound.