CID 22942533

Glycereth-7 triacetate

Structural Information

Molecular Formula
C15H26O9
SMILES
CC(=O)OCCOCC(COCCOC(=O)C)OCCOC(=O)C
InChI
InChI=1S/C15H26O9/c1-12(16)21-6-4-19-10-15(24-9-8-23-14(3)18)11-20-5-7-22-13(2)17/h15H,4-11H2,1-3H3
InChIKey
UGIDBMZDPHJUML-UHFFFAOYSA-N
Compound name
2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

350.15768 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.16496 179.0
[M+Na]+ 373.14690 181.9
[M-H]- 349.15040 190.2
[M+NH4]+ 368.19150 200.9
[M+K]+ 389.12084 184.5
[M+H-H2O]+ 333.15494 171.8
[M+HCOO]- 395.15588 201.6
[M+CH3COO]- 409.17153 210.9
[M+Na-2H]- 371.13235 177.4
[M]+ 350.15713 193.8
[M]- 350.15823 193.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe