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

5
Patents

370.178 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 189.9
[M+Na]+ 393.16722 201.9
[M+NH4]+ 388.21182 195.5
[M+K]+ 409.14116 194.8
[M-H]- 369.17072 192.4
[M+Na-2H]- 391.15267 195.9
[M]+ 370.17745 192.2
[M]- 370.17855 192.2
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

patents stripe