CID 254433

Nsc78809

Structural Information

Molecular Formula
C20H30O6
SMILES
CCCCOCCOCCOCOCC1=CC2=C(C=C1CC=C)OCO2
InChI
InChI=1S/C20H30O6/c1-3-5-7-21-8-9-22-10-11-23-15-24-14-18-13-20-19(25-16-26-20)12-17(18)6-4-2/h4,12-13H,2-3,5-11,14-16H2,1H3
InChIKey
COBJDHYYLPOLLM-UHFFFAOYSA-N
Compound name
5-[2-(2-butoxyethoxy)ethoxymethoxymethyl]-6-prop-2-enyl-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20422 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21150 189.3
[M+Na]+ 389.19344 193.9
[M-H]- 365.19694 193.5
[M+NH4]+ 384.23804 201.9
[M+K]+ 405.16738 193.5
[M+H-H2O]+ 349.20148 182.0
[M+HCOO]- 411.20242 208.8
[M+CH3COO]- 425.21807 215.9
[M+Na-2H]- 387.17889 192.0
[M]+ 366.20367 201.1
[M]- 366.20477 201.1
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

No patent data available for this compound.