CID 21350

Piprotal

Structural Information

Molecular Formula
C24H40O8
SMILES
CCCCOCCOCCOC(C1=CC2=C(C=C1)OCO2)OCCOCCOCCCC
InChI
InChI=1S/C24H40O8/c1-3-5-9-25-11-13-27-15-17-29-24(21-7-8-22-23(19-21)32-20-31-22)30-18-16-28-14-12-26-10-6-4-2/h7-8,19,24H,3-6,9-18,20H2,1-2H3
InChIKey
XNRCGJVOJYKMSA-UHFFFAOYSA-N
Compound name
5-[bis[2-(2-butoxyethoxy)ethoxy]methyl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

2953
Patents

456.2723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.27958 213.6
[M+Na]+ 479.26152 214.4
[M-H]- 455.26502 216.5
[M+NH4]+ 474.30612 221.8
[M+K]+ 495.23546 215.6
[M+H-H2O]+ 439.26956 204.9
[M+HCOO]- 501.27050 230.8
[M+CH3COO]- 515.28615 231.7
[M+Na-2H]- 477.24697 214.1
[M]+ 456.27175 229.2
[M]- 456.27285 229.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe