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]+ 359.279176 196.0
[M+Na]+ 381.261118 197.1
[M-H]- 357.264624 194.0
[M+NH4]+ 376.305723 205.5
[M+K]+ 397.235058 196.5
[M+H-H2O]+ 341.269160 188.7
[M+HCOO]- 403.270101 206.7
[M+CH3COO]- 417.285751 218.9
[M+Na-2H]- 379.246566 190.9
[M]+ 358.27135142 205.7
[M]- 358.27244858 205.7
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.