CID 525148

Dipropylene glycol, diacetate

Structural Information

Molecular Formula

C₁₀H₁₈O₅

SMILES

CC(COC(C)COC(=O)C)OC(=O)C

InChI

InChI=1S/C10H18O5/c1-7(5-14-9(3)11)13-6-8(2)15-10(4)12/h7-8H,5-6H2,1-4H3

InChIKey

FLPPEMNGWYFRSK-UHFFFAOYSA-N

Compound name

2-(2-acetyloxypropoxy)propyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1159
Patents: 218.11542 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.122696	149.2
[M+Na]+	241.104638	154.6
[M-H]-	217.108144	149.2
[M+NH4]+	236.149243	167.6
[M+K]+	257.078578	156.4
[M+H-H2O]+	201.112680	143.9
[M+HCOO]-	263.113621	169.4
[M+CH3COO]-	277.129271	189.5
[M+Na-2H]-	239.090086	149.4
[M]+	218.11487142	155.3
[M]-	218.11596858	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe