CID 85537

Dibutylcarbitol phthalate

Structural Information

Molecular Formula
C24H38O8
SMILES
CCCCOCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCOCCCC
InChI
InChI=1S/C24H38O8/c1-3-5-11-27-13-15-29-17-19-31-23(25)21-9-7-8-10-22(21)24(26)32-20-18-30-16-14-28-12-6-4-2/h7-10H,3-6,11-20H2,1-2H3
InChIKey
GOBKHNHHHSPHEX-UHFFFAOYSA-N
Compound name
bis[2-(2-butoxyethoxy)ethyl] benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

244
Patents

454.25668 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.26396 212.3
[M+Na]+ 477.24590 213.3
[M-H]- 453.24940 213.2
[M+NH4]+ 472.29050 220.4
[M+K]+ 493.21984 212.5
[M+H-H2O]+ 437.25394 202.4
[M+HCOO]- 499.25488 231.7
[M+CH3COO]- 513.27053 231.6
[M+Na-2H]- 475.23135 210.0
[M]+ 454.25613 226.6
[M]- 454.25723 226.6
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