CID 3085715

Dipropylene glycol di-p-toluate

Structural Information

Molecular Formula

C₂₂H₂₆O₅

SMILES

CC1=CC=C(C=C1)C(=O)OCCCOCCCOC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H26O5/c1-17-5-9-19(10-6-17)21(23)26-15-3-13-25-14-4-16-27-22(24)20-11-7-18(2)8-12-20/h5-12H,3-4,13-16H2,1-2H3

InChIKey

XMJAXLGZQSTXMT-UHFFFAOYSA-N

Compound name

3-[3-(4-methylbenzoyl)oxypropoxy]propyl 4-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 370.178 Da
Monoisotopic Mass: 4.6
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]+	371.185276	190.5
[M+Na]+	393.167218	195.0
[M-H]-	369.170724	196.2
[M+NH4]+	388.211823	202.3
[M+K]+	409.141158	192.3
[M+H-H2O]+	353.175260	181.2
[M+HCOO]-	415.176201	211.5
[M+CH3COO]-	429.191851	217.1
[M+Na-2H]-	391.152666	190.5
[M]+	370.17745142	197.4
[M]-	370.17854858	197.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe