CID 3023502

94088-82-1

Structural Information

Molecular Formula

C₁₇H₂₈O₈

SMILES

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

InChI

InChI=1S/C17H28O8/c1-10(2)22-14(19)8-17(25-13(7)18,16(21)24-12(5)6)9-15(20)23-11(3)4/h10-12H,8-9H2,1-7H3

InChIKey

USDPICIEGXFKEJ-UHFFFAOYSA-N

Compound name

tripropan-2-yl 2-acetyloxypropane-1,2,3-tricarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 360.1784 Da
Monoisotopic Mass: 1.9
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]+	361.185676	188.1
[M+Na]+	383.167618	198.4
[M-H]-	359.171124	193.7
[M+NH4]+	378.212223	203.7
[M+K]+	399.141558	194.7
[M+H-H2O]+	343.175660	174.7
[M+HCOO]-	405.176601	192.7
[M+CH3COO]-	419.192251	216.4
[M+Na-2H]-	381.153066	184.2
[M]+	360.17785142	192.6
[M]-	360.17894858	192.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe